5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one

C21H24ClN3O — CID 142795930

IUPAC5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCC1=CN(C2CNC2)C(c2cc(C)c(=O)n(C)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-13-8-16(12-24(3)21(13)26)20-19(15-4-6-17(22)7-5-15)14(2)11-25(20)18-9-23-10-18/h4-8,11-12,18-20,23H,9-10H2,1-3H3
InChIKeyCCWPKHNXEBXBQZ-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.36
Rot. Bonds3

About 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one

5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 142795930) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID142795930
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCC1=CN(C2CNC2)C(c2cc(C)c(=O)n(C)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-13-8-16(12-24(3)21(13)26)20-19(15-4-6-17(22)7-5-15)14(2)11-25(20)18-9-23-10-18/h4-8,11-12,18-20,23H,9-10H2,1-3H3
InChIKeyCCWPKHNXEBXBQZ-UHFFFAOYSA-N
XLogP3.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826339
5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one
CID 142795946
5-[(4-chlorophenyl)-hydroxymethyl]-1,3-dimethylpyridin-2-one
CID 130371266
4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 86294479
3-[4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-methyl-6-oxo-4H-pyrrolo[3,4-d]pyrazol-1-yl]azetidine-1-carboxylic acid
CID 130234503
(4R)-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826360
3-tert-butyl-4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567571
3,5-dichloro-1-methylpyridin-2-one
CID 18793483
3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
CID 130900633
(3S,4S)-3-(4-chlorophenyl)-1-methyl-4-methylsulfanylpyrrolidine-2,5-dione
CID 102012593
6-(4-chlorophenyl)-3-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methylpyrazol-3-yl)-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 86343544
(3aS,4S,5S,7aS)-4,5-bis(4-chlorophenyl)-6-methyl-2,3,3a,4,5,7a-hexahydroisoindol-1-one
CID 58952312

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one (CID 142795930) is 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one is CC1=CN(C2CNC2)C(c2cc(C)c(=O)n(C)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is CCWPKHNXEBXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-13-8-16(12-24(3)21(13)26)20-19(15-4-6-17(22)7-5-15)14(2)11-25(20)18-9-23-10-18/h4-8,11-12,18-20,23H,9-10H2,1-3H3.
What are the key properties of 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 369.90 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)-3-(4-chlorophenyl)-4-methyl-2,3-dihydropyrrol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 142795930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).