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

C17H16ClN3O2 — CID 6462081

IUPAC1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-11-4-5-14(8-15(11)18)21-10-12(7-16(21)22)17(23)20-13-3-2-6-19-9-13/h2-6,8-9,12H,7,10H2,1H3,(H,20,23)
InChIKeyMIKOCDOQYKKIBE-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.04
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 6462081) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID6462081
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-11-4-5-14(8-15(11)18)21-10-12(7-16(21)22)17(23)20-13-3-2-6-19-9-13/h2-6,8-9,12H,7,10H2,1H3,(H,20,23)
InChIKeyMIKOCDOQYKKIBE-UHFFFAOYSA-N
XLogP3.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 6462081) is 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is MIKOCDOQYKKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-4-5-14(8-15(11)18)21-10-12(7-16(21)22)17(23)20-13-3-2-6-19-9-13/h2-6,8-9,12H,7,10H2,1H3,(H,20,23).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6462081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).