2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide

C17H19N3O2 — CID 46403357

IUPAC2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccc[nH]c1=O
InChIInChI=1S/C17H19N3O2/c21-16-15(7-4-9-18-16)17(22)19-11-13-8-10-20(12-13)14-5-2-1-3-6-14/h1-7,9,13H,8,10-12H2,(H,18,21)(H,19,22)
InChIKeyVXVRRHLDPOEXGQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.63
Rot. Bonds4

About 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide

2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 46403357) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID46403357
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccc[nH]c1=O
InChIInChI=1S/C17H19N3O2/c21-16-15(7-4-9-18-16)17(22)19-11-13-8-10-20(12-13)14-5-2-1-3-6-14/h1-7,9,13H,8,10-12H2,(H,18,21)(H,19,22)
InChIKeyVXVRRHLDPOEXGQ-UHFFFAOYSA-N
XLogP1.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38442154
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[(1-benzoylpiperidin-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 136527096
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
CID 124877536
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide (CID 46403357) is 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide is O=C(NCC1CCN(c2ccccc2)C1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is VXVRRHLDPOEXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-15(7-4-9-18-16)17(22)19-11-13-8-10-20(12-13)14-5-2-1-3-6-14/h1-7,9,13H,8,10-12H2,(H,18,21)(H,19,22).
What are the key properties of 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46403357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).