N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide

C13H19N3O2 — CID 114039106

IUPACN-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCCC(NC(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C13H19N3O2/c1-2-16-7-3-4-10(9-16)15-13(18)11-8-14-6-5-12(11)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeySJNMPGFVOFBJDR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.59
Rot. Bonds3

About N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide

N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114039106) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114039106
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN1CCCC(NC(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C13H19N3O2/c1-2-16-7-3-4-10(9-16)15-13(18)11-8-14-6-5-12(11)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,17)(H,15,18)
InChIKeySJNMPGFVOFBJDR-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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Related Compounds

N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336788
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109
N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336778
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
3-(ethylamino)-N-(1-ethylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069157
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 114039106) is N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide is CCN1CCCC(NC(=O)c2c[nH]ccc2=O)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SJNMPGFVOFBJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16-7-3-4-10(9-16)15-13(18)11-8-14-6-5-12(11)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
N-(1-ethylpiperidin-3-yl)-4-oxo-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 N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).