N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide

C13H18N2O3 — CID 102739207

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18N2O3/c1-18-12-8-14-7-6-9(12)13(17)15-10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyKTOZOROSWNDGGF-GHMZBOCLSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide (PubChem CID 102739207) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
PubChem CID102739207
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H18N2O3/c1-18-12-8-14-7-6-9(12)13(17)15-10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyKTOZOROSWNDGGF-GHMZBOCLSA-N
XLogP1.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
CID 105063711
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
3-methoxy-N-[4-(methylamino)cyclohexyl]pyridine-4-carboxamide
CID 105063330
N-(4-bromocyclohexyl)-3-methoxypyridine-4-carboxamide
CID 105064552
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
3-(3-aminoprop-1-ynyl)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 66482908
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methoxybenzamide
CID 104956910

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide (CID 102739207) is N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is KTOZOROSWNDGGF-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-8-14-7-6-9(12)13(17)15-10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 102739207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).