N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide

C12H19N3O2 — CID 106140156

IUPACN-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)(CCN)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,4-5-13)8-15-11(17)9-3-6-14-10(16)7-9/h3,6-7H,4-5,8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIVYLWPWMAZIYAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.48
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide

N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 106140156) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID106140156
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)(CCN)CNC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19N3O2/c1-12(2,4-5-13)8-15-11(17)9-3-6-14-10(16)7-9/h3,6-7H,4-5,8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIVYLWPWMAZIYAU-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

2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808
3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 114039659
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114168502
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide (CID 106140156) is N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide is CC(C)(CCN)CNC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is IVYLWPWMAZIYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,4-5-13)8-15-11(17)9-3-6-14-10(16)7-9/h3,6-7H,4-5,8,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-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-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 106140156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).