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

C13H19N3O2 — CID 114038609

IUPACN-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1c[nH]ccc1=O)C1CCC(N)CC1
InChIInChI=1S/C13H19N3O2/c1-16(10-4-2-9(14)3-5-10)13(18)11-8-15-7-6-12(11)17/h6-10H,2-5,14H2,1H3,(H,15,17)
InChIKeyQODABSDDCJMVGK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds2

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

N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114038609) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114038609
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(C(=O)c1c[nH]ccc1=O)C1CCC(N)CC1
InChIInChI=1S/C13H19N3O2/c1-16(10-4-2-9(14)3-5-10)13(18)11-8-15-7-6-12(11)17/h6-10H,2-5,14H2,1H3,(H,15,17)
InChIKeyQODABSDDCJMVGK-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

n3-(Cyclohexyl)-6-tert-butyl-1-pentyl-4-oxo-1,4-dihydropyridine-3-carboxamide
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6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
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4-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
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CID 18682014
4-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 67941049
4-oxo-N-pentyl-1H-pyridine-3-carboxamide
CID 103336717
N-Ethyl-4-hydroxynicotinamide
CID 103337056
N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 134434621
N-(1,4-dimethylpiperidin-4-yl)-4-oxo-1H-pyridine-3-carboxamide
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N-(1-ethyl-4-methylpiperidin-4-yl)-4-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 114038609) is N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is CN(C(=O)c1c[nH]ccc1=O)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QODABSDDCJMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(10-4-2-9(14)3-5-10)13(18)11-8-15-7-6-12(11)17/h6-10H,2-5,14H2,1H3,(H,15,17).
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-N-methyl-4-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-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114038609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).