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

C17H16ClN3O2 — CID 6462969

IUPAC1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccncc3)CC2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-11-2-3-14(9-15(11)18)21-10-12(8-16(21)22)17(23)20-13-4-6-19-7-5-13/h2-7,9,12H,8,10H2,1H3,(H,19,20,23)
InChIKeyQEGUTROFTAZHTO-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.04
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 6462969) 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-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID6462969
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccncc3)CC2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-11-2-3-14(9-15(11)18)21-10-12(8-16(21)22)17(23)20-13-4-6-19-7-5-13/h2-7,9,12H,8,10H2,1H3,(H,19,20,23)
InChIKeyQEGUTROFTAZHTO-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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Related Compounds

1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867
methyl 3-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113187822
1-(4-acetylphenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188951
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438229
1-(1,3-benzodioxol-5-yl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791215
1-(3-chloro-4-methylphenyl)-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 84987956

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 6462969) is 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccncc3)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is QEGUTROFTAZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-2-3-14(9-15(11)18)21-10-12(8-16(21)22)17(23)20-13-4-6-19-7-5-13/h2-7,9,12H,8,10H2,1H3,(H,19,20,23).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-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-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6462969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).