N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide

C22H20N4O — CID 6622635

IUPACN-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
SMILESO=C(CCc1nc2cccnc2n1-c1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H20N4O/c27-21(24-16-17-8-3-1-4-9-17)14-13-20-25-19-12-7-15-23-22(19)26(20)18-10-5-2-6-11-18/h1-12,15H,13-14,16H2,(H,24,27)
InChIKeyBRSNNNGWLHFVSV-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.67
Rot. Bonds6

About N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide

N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide (PubChem CID 6622635) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
PubChem CID6622635
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
SMILESO=C(CCc1nc2cccnc2n1-c1ccccc1)NCc1ccccc1
InChIInChI=1S/C22H20N4O/c27-21(24-16-17-8-3-1-4-9-17)14-13-20-25-19-12-7-15-23-22(19)26(20)18-10-5-2-6-11-18/h1-12,15H,13-14,16H2,(H,24,27)
InChIKeyBRSNNNGWLHFVSV-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)butanamide
CID 50806674
N-(3-methylbutyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867503
N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867515
N-(4-acetylphenyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 126458385
N-(oxolan-2-ylmethyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6625066
3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6622705
N-[(4-fluorophenyl)methyl]-4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carboxamide
CID 50830755
3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46277233
N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 14987229
N-[(3-methoxyphenyl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 46256846
3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 23602521
N-benzyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916242

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
The IUPAC name of N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide (CID 6622635) is N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
The canonical SMILES for N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide is O=C(CCc1nc2cccnc2n1-c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
The InChIKey is BRSNNNGWLHFVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(24-16-17-8-3-1-4-9-17)14-13-20-25-19-12-7-15-23-22(19)26(20)18-10-5-2-6-11-18/h1-12,15H,13-14,16H2,(H,24,27).
What are the key properties of N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide?
N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 6622635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).