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

C18H19N3O2 — CID 2872880

IUPAC1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccc(C)n3)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-15(9-7-12)21-11-14(10-17(21)22)18(23)20-16-5-3-4-13(2)19-16/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)
InChIKeyOISWPCKCEJIAHE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds3

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

1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2872880) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2872880
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cccc(C)n3)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-6-8-15(9-7-12)21-11-14(10-17(21)22)18(23)20-16-5-3-4-13(2)19-16/h3-9,14H,10-11H2,1-2H3,(H,19,20,23)
InChIKeyOISWPCKCEJIAHE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 2872880) is 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cccc(C)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OISWPCKCEJIAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-8-15(9-7-12)21-11-14(10-17(21)22)18(23)20-16-5-3-4-13(2)19-16/h3-9,14H,10-11H2,1-2H3,(H,19,20,23).
What are the key properties of 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-(6-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 1-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2872880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).