1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C18H19N3O2 — CID 138024829

IUPAC1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cccc(NC(=O)C3CC(=O)N(C)C3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)15-4-3-5-16(19-15)20-18(23)14-10-17(22)21(2)11-14/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)
InChIKeyNVKCSKVDVJFFFZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds3

About 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide

1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 138024829) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID138024829
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cccc(NC(=O)C3CC(=O)N(C)C3)n2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)15-4-3-5-16(19-15)20-18(23)14-10-17(22)21(2)11-14/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)
InChIKeyNVKCSKVDVJFFFZ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-methylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25347661
N-[6-[4-(methoxymethylsulfanyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 86717676
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
1-(2,3-dimethylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 46651550
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18886113
1-methyl-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 43926673
1-methyl-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42956829
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000
(3S)-1-[(4-chlorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39351626
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
(3R)-N-(3-benzoylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7343636

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 138024829) is 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(-c2cccc(NC(=O)C3CC(=O)N(C)C3)n2)cc1.
What is the InChIKey of 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NVKCSKVDVJFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)15-4-3-5-16(19-15)20-18(23)14-10-17(22)21(2)11-14/h3-9,14H,10-11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(4-methylphenyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138024829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).