N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

C12H20ClN3O2 — CID 119588511

IUPACN-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(=O)[nH]c1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-8(2)5-10(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);1H
InChIKeyFVPARXZRYJIDBK-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.90
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119588511) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119588511
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(=O)[nH]c1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-8(2)5-10(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);1H
InChIKeyFVPARXZRYJIDBK-UHFFFAOYSA-N
XLogP0.90
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 86605303
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 87913020
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
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N-(1-amino-4-methylpentan-2-yl)-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119588511) is N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(=O)[nH]c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is FVPARXZRYJIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-8(2)5-10(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);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 0.90, 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-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119588511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).