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

C18H19N3O2 — CID 24687433

IUPAC1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H19N3O2/c1-13-6-5-9-16(19-13)20-18(23)15-10-17(22)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,19,20,23)
InChIKeyNQEHFPDTULVMFN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds4

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

1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24687433) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24687433
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)n1
InChIInChI=1S/C18H19N3O2/c1-13-6-5-9-16(19-13)20-18(23)15-10-17(22)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,19,20,23)
InChIKeyNQEHFPDTULVMFN-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 24687433) is 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)n1.
What is the InChIKey of 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NQEHFPDTULVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-5-9-16(19-13)20-18(23)15-10-17(22)21(12-15)11-14-7-3-2-4-8-14/h2-9,15H,10-12H2,1H3,(H,19,20,23).
What are the key properties of 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24687433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).