N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide

C12H19N3O2 — CID 114178134

IUPACN-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(CCN)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H19N3O2/c1-8(2)10(5-6-13)15-12(17)9-3-4-11(16)14-7-9/h3-4,7-8,10H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIYSMBRJPQXWLNB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.48
Rot. Bonds5

About N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114178134) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114178134
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(CCN)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H19N3O2/c1-8(2)10(5-6-13)15-12(17)9-3-4-11(16)14-7-9/h3-4,7-8,10H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIYSMBRJPQXWLNB-UHFFFAOYSA-N
XLogP0.48
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
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N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114178138
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
CID 114389718
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114211336
N-[1-(4-fluorophenyl)propan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 60794170

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 114178134) is N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide is CC(C)C(CCN)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IYSMBRJPQXWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10(5-6-13)15-12(17)9-3-4-11(16)14-7-9/h3-4,7-8,10H,5-6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114178134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).