N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C13H19N3O2 — CID 79121804

IUPACN-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)[nH]c1)C1CCC(N)CC1
InChIInChI=1S/C13H19N3O2/c1-16(11-5-3-10(14)4-6-11)13(18)9-2-7-12(17)15-8-9/h2,7-8,10-11H,3-6,14H2,1H3,(H,15,17)
InChIKeyWWOFRWWWWNYKTL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds2

About N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 79121804) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID79121804
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)[nH]c1)C1CCC(N)CC1
InChIInChI=1S/C13H19N3O2/c1-16(11-5-3-10(14)4-6-11)13(18)9-2-7-12(17)15-8-9/h2,7-8,10-11H,3-6,14H2,1H3,(H,15,17)
InChIKeyWWOFRWWWWNYKTL-UHFFFAOYSA-N
XLogP0.72
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114038609
N-cyclopropyl-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763001
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
N-(4-aminocyclohexyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 79121302

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 79121804) is N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CN(C(=O)c1ccc(=O)[nH]c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WWOFRWWWWNYKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(11-5-3-10(14)4-6-11)13(18)9-2-7-12(17)15-8-9/h2,7-8,10-11H,3-6,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 79121804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).