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

C22H20N4O — CID 46277358

IUPAC3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-n3cnc4cccnc43)c2C)cc1
InChIInChI=1S/C22H20N4O/c1-15-8-10-17(11-9-15)13-24-22(27)18-5-3-7-20(16(18)2)26-14-25-19-6-4-12-23-21(19)26/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyQJZMHTAXCPRGFU-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.97
Rot. Bonds4

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

3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46277358) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID46277358
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(-n3cnc4cccnc43)c2C)cc1
InChIInChI=1S/C22H20N4O/c1-15-8-10-17(11-9-15)13-24-22(27)18-5-3-7-20(16(18)2)26-14-25-19-6-4-12-23-21(19)26/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyQJZMHTAXCPRGFU-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 20916253
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619808
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 78823802
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-[(4-ethylphenyl)methyl]-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
CID 20916234
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 46277358) is 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(-n3cnc4cccnc43)c2C)cc1.
What is the InChIKey of 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is QJZMHTAXCPRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-8-10-17(11-9-15)13-24-22(27)18-5-3-7-20(16(18)2)26-14-25-19-6-4-12-23-21(19)26/h3-12,14H,13H2,1-2H3,(H,24,27).
What are the key properties of 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide?
3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[4,5-b]pyridin-3-yl-2-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46277358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).