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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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).