1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

C17H17N3O2 — CID 645684

IUPAC1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-12-4-6-15(7-5-12)20-11-13(9-16(20)21)17(22)19-14-3-2-8-18-10-14/h2-8,10,13H,9,11H2,1H3,(H,19,22)
InChIKeyJRHWHZCHGSBQRW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.38
Rot. Bonds3

About 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 645684) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID645684
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-12-4-6-15(7-5-12)20-11-13(9-16(20)21)17(22)19-14-3-2-8-18-10-14/h2-8,10,13H,9,11H2,1H3,(H,19,22)
InChIKeyJRHWHZCHGSBQRW-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
4,4-Diphenyl-N-(pyridin-3-yl)-butyramide
CID 11976417
N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
CID 118450420
(2E)-3-phenyl-N-(pyridin-3-yl)prop-2-enamide
CID 825474
2-phenyl-N-pyridin-3-ylbutanamide
CID 4047159
1-phenyl-N-3-pyridinylcyclopentanecarboxamide
CID 744343
3-phenyl-N-pyridin-3-ylpropanamide
CID 683950
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-3-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895787
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-4-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895788
(1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134817505
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510249

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 645684) is 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is JRHWHZCHGSBQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-4-6-15(7-5-12)20-11-13(9-16(20)21)17(22)19-14-3-2-8-18-10-14/h2-8,10,13H,9,11H2,1H3,(H,19,22).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 645684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).