N-acetyl-2-oxo-1H-pyridine-3-carboxamide

C8H8N2O3 — CID 13466162

IUPACN-acetyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C8H8N2O3/c1-5(11)10-8(13)6-3-2-4-9-7(6)12/h2-4H,1H3,(H,9,12)(H,10,11,13)
InChIKeyKSQOBAULIYDSMW-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.35
Rot. Bonds1

About N-acetyl-2-oxo-1H-pyridine-3-carboxamide

N-acetyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 13466162) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is N-acetyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID13466162
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC NameN-acetyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C8H8N2O3/c1-5(11)10-8(13)6-3-2-4-9-7(6)12/h2-4H,1H3,(H,9,12)(H,10,11,13)
InChIKeyKSQOBAULIYDSMW-UHFFFAOYSA-N
XLogP-0.35
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)pyridin-2-ol
CID 579640
2-Hydroxy-3-pyridinecarboxamide
CID 258299
1-Methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 12791801
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
Nicotinamide, N(sup 1)-2'-bromoethyldihydro-
CID 116242
3-(Aminomethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 12847833
N-[3-(methanesulfonamido)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38421914
2-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47256613
N-(1-cyclopropylethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 42925021
3-((Methylamino)methyl)-1,2-dihydropyridin-2-one hydrochloride
CID 155819968
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

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-acetyl-2-oxo-1H-pyridine-3-carboxamide (CID 13466162) is N-acetyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-acetyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-acetyl-2-oxo-1H-pyridine-3-carboxamide is CC(=O)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-acetyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KSQOBAULIYDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5(11)10-8(13)6-3-2-4-9-7(6)12/h2-4H,1H3,(H,9,12)(H,10,11,13).
What are the key properties of N-acetyl-2-oxo-1H-pyridine-3-carboxamide?
N-acetyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 180.16 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 13466162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).