N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide

C19H16N4O — CID 118692619

IUPACN-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2cccnc2n1C1=CC=C1
InChIInChI=1S/C19H16N4O/c24-17(12-11-14-6-2-1-3-7-14)22-19-21-16-10-5-13-20-18(16)23(19)15-8-4-9-15/h1-10,13H,11-12H2,(H,21,22,24)
InChIKeyZQWVHTXQHYGWFH-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.41
Rot. Bonds5

About N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide

N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide (PubChem CID 118692619) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
PubChem CID118692619
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2cccnc2n1C1=CC=C1
InChIInChI=1S/C19H16N4O/c24-17(12-11-14-6-2-1-3-7-14)22-19-21-16-10-5-13-20-18(16)23(19)15-8-4-9-15/h1-10,13H,11-12H2,(H,21,22,24)
InChIKeyZQWVHTXQHYGWFH-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6622635
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455
N-(4-acetylphenyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 126458385
3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46277233
3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
CID 63261894
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(3,5-dimethylphenyl)butanamide
CID 46360070
N-cycloheptyl-3-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]propanamide
CID 20916237
N-[3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
CID 68751364
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 22582716
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide (CID 118692619) is N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2cccnc2n1C1=CC=C1.
What is the InChIKey of N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
The InChIKey is ZQWVHTXQHYGWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-17(12-11-14-6-2-1-3-7-14)22-19-21-16-10-5-13-20-18(16)23(19)15-8-4-9-15/h1-10,13H,11-12H2,(H,21,22,24).
What are the key properties of N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide?
N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide has a molecular weight of 316.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 118692619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).