N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide

C12H17N3O2 — CID 79114473

IUPACN-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O2/c13-8-3-5-9(6-4-8)15-12(17)10-2-1-7-14-11(10)16/h1-2,7-9H,3-6,13H2,(H,14,16)(H,15,17)
InChIKeyBOVBGJDDGFNMES-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds2

About N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide

N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 79114473) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID79114473
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C12H17N3O2/c13-8-3-5-9(6-4-8)15-12(17)10-2-1-7-14-11(10)16/h1-2,7-9H,3-6,13H2,(H,14,16)(H,15,17)
InChIKeyBOVBGJDDGFNMES-UHFFFAOYSA-N
XLogP0.37
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-aminocyclohexyl)-2-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-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide (CID 79114473) is N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide is NC1CCC(NC(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BOVBGJDDGFNMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-3-5-9(6-4-8)15-12(17)10-2-1-7-14-11(10)16/h1-2,7-9H,3-6,13H2,(H,14,16)(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 79114473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).