4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C17H17ClN2O2 — CID 129352590

IUPAC4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H17ClN2O2/c1-11-7-14(9-16(21)19-11)17(22)20-6-5-13(10-20)12-3-2-4-15(18)8-12/h2-4,7-9,13H,5-6,10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyIVEXOFIDNTWDGE-ZDUSSCGKSA-N
MW316.79 g/mol
LogP2.97
Rot. Bonds2

About 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 129352590) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID129352590
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H17ClN2O2/c1-11-7-14(9-16(21)19-11)17(22)20-6-5-13(10-20)12-3-2-4-15(18)8-12/h2-4,7-9,13H,5-6,10H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyIVEXOFIDNTWDGE-ZDUSSCGKSA-N
XLogP2.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 166204209
5-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 99978950
4-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 138383179
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629
4-[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 50972841
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-[5-[4-(3-chlorophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-propan-2-ylurea
CID 68953307
4-[3-(3-chlorophenyl)pyrrolidin-1-yl]-3-methyl-3-(4-methylphenyl)-4-oxobutanoic acid
CID 143161495
4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methyl-1H-pyridin-2-one
CID 164696636
1-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97270431
[3-(3-chlorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(2-chloro-4-pyridinyl)methanone
CID 75259806
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 129352590) is 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is IVEXOFIDNTWDGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-7-14(9-16(21)19-11)17(22)20-6-5-13(10-20)12-3-2-4-15(18)8-12/h2-4,7-9,13H,5-6,10H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 316.79 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 129352590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).