N-butyl-6-oxo-1H-pyridine-3-carboxamide

C10H14N2O2 — CID 28826271

IUPACN-butyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O2/c1-2-3-6-11-10(14)8-4-5-9(13)12-7-8/h4-5,7H,2-3,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyHKBSTYQUFOWAIA-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.90
Rot. Bonds4

About N-butyl-6-oxo-1H-pyridine-3-carboxamide

N-butyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 28826271) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-butyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID28826271
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-butyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H14N2O2/c1-2-3-6-11-10(14)8-4-5-9(13)12-7-8/h4-5,7H,2-3,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyHKBSTYQUFOWAIA-UHFFFAOYSA-N
XLogP0.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-Methyl-2-pyridone-5-carboxamide
CID 69698
6-Hydroxynicotinamide
CID 72925
1,6-Dihydro-N-methyl-6-oxonicotinamide
CID 70510
3-Ethylpyridin-2-ol
CID 12354337
6-Hydroxypseudooxynicotine
CID 439476
(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 43556202
Kenalactam C
CID 145720934
5-(Aminomethyl)pyridin-2(1H)-one
CID 14846981
N-Acetyldopamine quinone
CID 128278
6-Hydroxypseudooxynicotinium(1+)
CID 25201146
5-Dimethylaminomethyl-1H-pyridin-2-one
CID 14846982
5-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
CID 135308034

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-oxo-1H-pyridine-3-carboxamide (CID 28826271) is N-butyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-oxo-1H-pyridine-3-carboxamide is CCCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-butyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HKBSTYQUFOWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-6-11-10(14)8-4-5-9(13)12-7-8/h4-5,7H,2-3,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-butyl-6-oxo-1H-pyridine-3-carboxamide?
N-butyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28826271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).