(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide

C15H22N2O3 — CID 135095882

IUPAC(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NCCc2cccnc2)CC[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-20-14-9-12(4-5-13(14)18)15(19)17-8-6-11-3-2-7-16-10-11/h2-3,7,10,12-14,18H,4-6,8-9H2,1H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyQNUMHKPKOCHVNZ-HZSPNIEDSA-N
MW278.35 g/mol
LogP0.92
Rot. Bonds5

About (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide (PubChem CID 135095882) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
PubChem CID135095882
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NCCc2cccnc2)CC[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-20-14-9-12(4-5-13(14)18)15(19)17-8-6-11-3-2-7-16-10-11/h2-3,7,10,12-14,18H,4-6,8-9H2,1H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyQNUMHKPKOCHVNZ-HZSPNIEDSA-N
XLogP0.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
formic acid;3-hydroxy-N-[(1R,2R,5S)-2-hydroxy-5-(2-pyridin-3-ylethylcarbamoyl)cyclohexyl]benzamide
CID 163341655
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
(1S,3R,4R)-N-(3-imidazol-1-ylpropyl)-4-methoxy-3-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxamide
CID 155918395
N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 162637213
2-amino-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 64822976
N-(2-pyridin-3-ylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891385
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
(1R,3R,4S)-N-[(3,5-difluorophenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide
CID 135096509

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide (CID 135095882) is (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide is CO[C@@H]1C[C@H](C(=O)NCCc2cccnc2)CC[C@@H]1O.
What is the InChIKey of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is QNUMHKPKOCHVNZ-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-9-12(4-5-13(14)18)15(19)17-8-6-11-3-2-7-16-10-11/h2-3,7,10,12-14,18H,4-6,8-9H2,1H3,(H,17,19)/t12-,13+,14-/m1/s1.
What are the key properties of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide?
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 135095882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).