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

C19H21N3O2 — CID 24686893

IUPAC1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C19H21N3O2/c1-13-5-7-15(8-6-13)11-22-12-16(10-17(22)23)19(24)21-18-14(2)4-3-9-20-18/h3-9,16H,10-12H2,1-2H3,(H,20,21,24)
InChIKeyOPKAVOUYQIMVQQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.69
Rot. Bonds4

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

1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24686893) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24686893
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ncccc3C)CC2=O)cc1
InChIInChI=1S/C19H21N3O2/c1-13-5-7-15(8-6-13)11-22-12-16(10-17(22)23)19(24)21-18-14(2)4-3-9-20-18/h3-9,16H,10-12H2,1-2H3,(H,20,21,24)
InChIKeyOPKAVOUYQIMVQQ-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
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)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 24686893) is 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3ncccc3C)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OPKAVOUYQIMVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-5-7-15(8-6-13)11-22-12-16(10-17(22)23)19(24)21-18-14(2)4-3-9-20-18/h3-9,16H,10-12H2,1-2H3,(H,20,21,24).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24686893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).