4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide

C25H26N4O — CID 46360070

IUPAC4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1
InChIInChI=1S/C25H26N4O/c1-18-14-19(2)16-21(15-18)27-24(30)12-6-11-23-28-22-10-7-13-26-25(22)29(23)17-20-8-4-3-5-9-20/h3-5,7-10,13-16H,6,11-12,17H2,1-2H3,(H,27,30)
InChIKeyOINHXFXJQFJNFC-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.06
Rot. Bonds7

About 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide

4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide (PubChem CID 46360070) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
PubChem CID46360070
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
SMILESCc1cc(C)cc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1
InChIInChI=1S/C25H26N4O/c1-18-14-19(2)16-21(15-18)27-24(30)12-6-11-23-28-22-10-7-13-26-25(22)29(23)17-20-8-4-3-5-9-20/h3-5,7-10,13-16H,6,11-12,17H2,1-2H3,(H,27,30)
InChIKeyOINHXFXJQFJNFC-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
CID 46360040
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 22582716
N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360195
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 46344277
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46360141
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360187
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea
CID 50788032
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 50788025
N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46359991

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide?
The IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide (CID 46360070) is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide?
The canonical SMILES for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide is Cc1cc(C)cc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1.
What is the InChIKey of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide?
The InChIKey is OINHXFXJQFJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-14-19(2)16-21(15-18)27-24(30)12-6-11-23-28-22-10-7-13-26-25(22)29(23)17-20-8-4-3-5-9-20/h3-5,7-10,13-16H,6,11-12,17H2,1-2H3,(H,27,30).
What are the key properties of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide?
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide has a molecular weight of 398.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide is sourced from PubChem (CID 46360070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).