4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide

C21H16Cl2N4O — CID 46277432

IUPAC4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)c(Cl)c1
InChIInChI=1S/C21H16Cl2N4O/c1-12-5-8-17(16(23)10-12)26-21(28)14-6-7-15(22)19(11-14)27-13(2)25-18-4-3-9-24-20(18)27/h3-11H,1-2H3,(H,26,28)
InChIKeyFVYFGHXVYGDXGQ-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.60
Rot. Bonds3

About 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide

4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 46277432) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
PubChem CID46277432
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)c(Cl)c1
InChIInChI=1S/C21H16Cl2N4O/c1-12-5-8-17(16(23)10-12)26-21(28)14-6-7-15(22)19(11-14)27-13(2)25-18-4-3-9-24-20(18)27/h3-11H,1-2H3,(H,26,28)
InChIKeyFVYFGHXVYGDXGQ-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92886823
4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 50758284
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]benzamide
CID 92864305
[4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 46277418
4-chloro-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 46277437
5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 20887875
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
N-(2-chloro-4-methylphenyl)-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)sulfanylpropanamide
CID 70811207
N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide
CID 51191587
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
N-(2-chloro-4-methylphenyl)-1H-indazole-6-carboxamide
CID 60715106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide (CID 46277432) is 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is FVYFGHXVYGDXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c1-12-5-8-17(16(23)10-12)26-21(28)14-6-7-15(22)19(11-14)27-13(2)25-18-4-3-9-24-20(18)27/h3-11H,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide?
4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 411.29 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-4-methylphenyl)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 46277432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).