N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide

C12H19N3O2 — CID 106140031

IUPACN-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(CCN)CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H19N3O2/c1-12(2,4-5-13)8-15-11(17)9-7-14-6-3-10(9)16/h3,6-7H,4-5,8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyADLAPQRUDVZPCO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.48
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide

N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106140031) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106140031
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(CCN)CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H19N3O2/c1-12(2,4-5-13)8-15-11(17)9-7-14-6-3-10(9)16/h3,6-7H,4-5,8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyADLAPQRUDVZPCO-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

Analyze N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide (CID 106140031) is N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide is CC(C)(CCN)CNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ADLAPQRUDVZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,4-5-13)8-15-11(17)9-7-14-6-3-10(9)16/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)-4-oxo-1H-pyridine-3-carboxamide?
N-(4-amino-2,2-dimethylbutyl)-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-(4-amino-2,2-dimethylbutyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106140031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).