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

C12H19N3O2 — CID 114178138

IUPACN-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(CCN)NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)10(3-5-13)15-12(17)9-7-14-6-4-11(9)16/h4,6-8,10H,3,5,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLZKGNCBKGOJDEF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.48
Rot. Bonds5

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

N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114178138) 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)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114178138
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(CCN)NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)10(3-5-13)15-12(17)9-7-14-6-4-11(9)16/h4,6-8,10H,3,5,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLZKGNCBKGOJDEF-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-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114178134
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
N-(1-amino-4-methylpentan-3-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 106356919
N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106308005
N-[(3R)-1-methoxy-4-methylpentan-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 97320787
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 114178138) is N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide is CC(C)C(CCN)NC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LZKGNCBKGOJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10(3-5-13)15-12(17)9-7-14-6-4-11(9)16/h4,6-8,10H,3,5,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-4-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)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114178138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).