2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide

C13H19N3O2 — CID 47441631

IUPAC2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H19N3O2/c1-9(2)16-7-5-10(8-16)15-13(18)11-4-3-6-14-12(11)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLGKCHNIAABKWOW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds3

About 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide

2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide (PubChem CID 47441631) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
PubChem CID47441631
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H19N3O2/c1-9(2)16-7-5-10(8-16)15-13(18)11-4-3-6-14-12(11)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLGKCHNIAABKWOW-UHFFFAOYSA-N
XLogP0.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide (CID 47441631) is 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide is CC(C)N1CCC(NC(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide?
The InChIKey is LGKCHNIAABKWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)16-7-5-10(8-16)15-13(18)11-4-3-6-14-12(11)17/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47441631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).