2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide

C11H16N2O2 — CID 30481294

IUPAC2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-3-5-8(2)13-11(15)9-6-4-7-12-10(9)14/h4,6-8H,3,5H2,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyVOJXRHJLPKVINH-QMMMGPOBSA-N
MW208.26 g/mol
LogP1.29
Rot. Bonds4

About 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide

2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 30481294) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
PubChem CID30481294
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-3-5-8(2)13-11(15)9-6-4-7-12-10(9)14/h4,6-8H,3,5H2,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyVOJXRHJLPKVINH-QMMMGPOBSA-N
XLogP1.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47256613
6-methyl-2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 72046979
N-(1-ethylpiperidin-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72048283
6-methyl-N-(1-methylpiperidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 72048293
N-pentan-3-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 4847695
N-(1-cyclopropylethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 42925021
N-(but-3-yn-1-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765699
N-(but-3-yn-1-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765701
N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13928728
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
N-cyclooctyl-2-oxo-1H-pyridine-3-carboxamide
CID 25662538
N-[(2S)-3-methylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 29842094

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide (CID 30481294) is 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide is CCC[C@H](C)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is VOJXRHJLPKVINH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-5-8(2)13-11(15)9-6-4-7-12-10(9)14/h4,6-8H,3,5H2,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide?
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 30481294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).