5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide

C12H15ClN2O2 — CID 104927278

IUPAC5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2O2/c13-8-5-6-10(14-7-8)12(17)15-9-3-1-2-4-11(9)16/h5-7,9,11,16H,1-4H2,(H,15,17)/t9-,11-/m1/s1
InChIKeyISMQCRTUVQGVPX-MWLCHTKSSA-N
MW254.72 g/mol
LogP1.77
Rot. Bonds2

About 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide (PubChem CID 104927278) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
PubChem CID104927278
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cn1
InChIInChI=1S/C12H15ClN2O2/c13-8-5-6-10(14-7-8)12(17)15-9-3-1-2-4-11(9)16/h5-7,9,11,16H,1-4H2,(H,15,17)/t9-,11-/m1/s1
InChIKeyISMQCRTUVQGVPX-MWLCHTKSSA-N
XLogP1.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
CID 96528381
5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 122559914
5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 11385186
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
6-(4-chlorophenyl)-5-(cyclopentylmethoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 86616971
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-1H-pyrazole-4-carboxamide
CID 155953824
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide (CID 104927278) is 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide?
The InChIKey is ISMQCRTUVQGVPX-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-5-6-10(14-7-8)12(17)15-9-3-1-2-4-11(9)16/h5-7,9,11,16H,1-4H2,(H,15,17)/t9-,11-/m1/s1.
What are the key properties of 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide?
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 104927278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).