(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C18H19N3O2 — CID 1088260

IUPAC(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-5-7-15(8-6-12)21-11-14(10-16(21)22)18(23)20-17-13(2)4-3-9-19-17/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)/t14-/m0/s1
InChIKeyZBGGHBFMUNXLCD-AWEZNQCLSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds3

About (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1088260) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1088260
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-5-7-15(8-6-12)21-11-14(10-16(21)22)18(23)20-17-13(2)4-3-9-19-17/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)/t14-/m0/s1
InChIKeyZBGGHBFMUNXLCD-AWEZNQCLSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
(3S)-1-(4-bromo-3-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25348649
(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2293930
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
(3S)-1-(2-bromophenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39340628
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
N-(3-chloro-2-pyridinyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75398639
N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5024775
(3R)-1-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7393881
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651491
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 131918137

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 1088260) is (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZBGGHBFMUNXLCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-5-7-15(8-6-12)21-11-14(10-16(21)22)18(23)20-17-13(2)4-3-9-19-17/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1088260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).