N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide

C12H17N3O2 — CID 114040267

IUPACN-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC1CCCCC1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c13-8-4-1-2-5-9(8)15-12(17)10-6-3-7-11(16)14-10/h3,6-9H,1-2,4-5,13H2,(H,14,16)(H,15,17)
InChIKeyZDPLSIHKZVNHIP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds2

About N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide

N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040267) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040267
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC1CCCCC1NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c13-8-4-1-2-5-9(8)15-12(17)10-6-3-7-11(16)14-10/h3,6-9H,1-2,4-5,13H2,(H,14,16)(H,15,17)
InChIKeyZDPLSIHKZVNHIP-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

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Related Compounds

N-(2-ethylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040337
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362894
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
N-[(1R,2R)-2-aminocyclohexyl]-1H-indole-7-carboxamide
CID 102724878
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide (CID 114040267) is N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide is NC1CCCCC1NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZDPLSIHKZVNHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-4-1-2-5-9(8)15-12(17)10-6-3-7-11(16)14-10/h3,6-9H,1-2,4-5,13H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-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-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).