N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide

C12H17N3O2 — CID 70489728

IUPACN-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide
SMILESNc1c[nH]c(NC(=O)C2CCCCC2)cc1=O
InChIInChI=1S/C12H17N3O2/c13-9-7-14-11(6-10(9)16)15-12(17)8-4-2-1-3-5-8/h6-8H,1-5,13H2,(H2,14,15,16,17)
InChIKeyWBLWOOVSMRNZPG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.48
Rot. Bonds2

About N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide

N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide (PubChem CID 70489728) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide
PubChem CID70489728
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide
SMILESNc1c[nH]c(NC(=O)C2CCCCC2)cc1=O
InChIInChI=1S/C12H17N3O2/c13-9-7-14-11(6-10(9)16)15-12(17)8-4-2-1-3-5-8/h6-8H,1-5,13H2,(H2,14,15,16,17)
InChIKeyWBLWOOVSMRNZPG-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide 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-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide (CID 70489728) is N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide is Nc1c[nH]c(NC(=O)C2CCCCC2)cc1=O.
What is the InChIKey of N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide?
The InChIKey is WBLWOOVSMRNZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-9-7-14-11(6-10(9)16)15-12(17)8-4-2-1-3-5-8/h6-8H,1-5,13H2,(H2,14,15,16,17).
What are the key properties of N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide?
N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-oxo-1H-pyridin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 70489728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).