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

C24H24N4O2 — CID 46360040

IUPAC4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1
InChIInChI=1S/C24H24N4O2/c1-30-20-11-5-10-19(16-20)26-23(29)14-6-13-22-27-21-12-7-15-25-24(21)28(22)17-18-8-3-2-4-9-18/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,26,29)
InChIKeyFDOKUPFKZVHJPJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.45
Rot. Bonds8

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

4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide (PubChem CID 46360040) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
PubChem CID46360040
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1
InChIInChI=1S/C24H24N4O2/c1-30-20-11-5-10-19(16-20)26-23(29)14-6-13-22-27-21-12-7-15-25-24(21)28(22)17-18-8-3-2-4-9-18/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,26,29)
InChIKeyFDOKUPFKZVHJPJ-UHFFFAOYSA-N
XLogP4.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
N-(4-methoxyphenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 20867188
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46360141
N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360195
1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)urea
CID 50788032
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 22582716
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
2-(3-methoxyphenyl)-N-[[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]acetamide
CID 53020568
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445601
N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360002
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 53022613

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide (CID 46360040) is 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide is COc1cccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)c1.
What is the InChIKey of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide?
The InChIKey is FDOKUPFKZVHJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-30-20-11-5-10-19(16-20)26-23(29)14-6-13-22-27-21-12-7-15-25-24(21)28(22)17-18-8-3-2-4-9-18/h2-5,7-12,15-16H,6,13-14,17H2,1H3,(H,26,29).
What are the key properties of 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide?
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide has a molecular weight of 400.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 46360040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).