Name: Name:2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Brand: Angene
SKU: AG003GIW
Rating: 90 (10 reviews)

2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile

CAS No.:

68302-12-5

Catalog Number:

AG003GIW

Molecular Formula:

C16H13N3O2

Molecular Weight:

279.2933

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Product Description

Catalog Number:

AG003GIW

Chemical Name:

2-Amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile

CAS Number:

68302-12-5

Molecular Formula:

C16H13N3O2

Molecular Weight:

279.2933

MDL Number:

MFCD00191738

IUPAC Name:

2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile

InChI:

InChI=1S/C16H13N3O2/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-17)15(18)19-16(12)21-13/h3-6,8H,1-2H3,(H2,18,19)

InChI Key:

ZFMOBKNMVOXMMZ-UHFFFAOYSA-N

SMILES:

N#Cc1cc2c(nc1N)oc1c(c2=O)cc(cc1)C(C)C

Properties

Complexity:

469

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.299g/mol

Monoisotopic Mass:

279.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties