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

C13H18N2O2 — CID 106753486

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccn1
InChIInChI=1S/C13H18N2O2/c1-9-8-10(6-7-14-9)13(17)15-11-4-2-3-5-12(11)16/h6-8,11-12,16H,2-5H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyBOKVXYSYKAXRHM-VXGBXAGGSA-N
MW234.30 g/mol
LogP1.42
Rot. Bonds2

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

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753486) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
PubChem CID106753486
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccn1
InChIInChI=1S/C13H18N2O2/c1-9-8-10(6-7-14-9)13(17)15-11-4-2-3-5-12(11)16/h6-8,11-12,16H,2-5H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyBOKVXYSYKAXRHM-VXGBXAGGSA-N
XLogP1.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
CID 62367156
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
2-methyl-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 106753340
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
2-(methylamino)-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355708
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
2-methoxy-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355726

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide (CID 106753486) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide?
The InChIKey is BOKVXYSYKAXRHM-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-10(6-7-14-9)13(17)15-11-4-2-3-5-12(11)16/h6-8,11-12,16H,2-5H2,1H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).