Name: Name:5-(4-chlorophenyl)-N-{[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl}pyridine-3-carboxamide
Brand: Angene
SKU: AG01C29Z
Rating: 90 (10 reviews)

5-(4-chlorophenyl)-N-{[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl}pyridine-3-carboxamide

CAS No.:

1026822-49-0

Catalog Number:

AG01C29Z

Molecular Formula:

C20H15ClF3N3O2

Molecular Weight:

421.8002

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Product Description

Catalog Number:

AG01C29Z

Chemical Name:

5-(4-chlorophenyl)-N-{[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl}pyridine-3-carboxamide

CAS Number:

1026822-49-0

Molecular Formula:

C20H15ClF3N3O2

Molecular Weight:

421.8002

MDL Number:

MFCD31592482

IUPAC Name:

5-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pyridine-3-carboxamide

InChI:

InChI=1S/C20H15ClF3N3O2/c21-17-5-3-13(4-6-17)15-8-16(10-25-9-15)18(28)27-11-14-2-1-7-26-19(14)29-12-20(22,23)24/h1-10H,11-12H2,(H,27,28)

InChI Key:

ZSKFKDOCPJGONT-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)c1cncc(c1)C(=O)NCc1cccnc1OCC(F)(F)F

Properties

Complexity:

530

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

421.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

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Molecular Weight:

421.804g/mol

Monoisotopic Mass:

421.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives.	Bioorganic & medicinal chemistry letters 20101115