N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C17H22N2O2 — CID 63999206

IUPACN-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C#CCO)cn2)C(C)C1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-15(13(2)10-12)19-17(21)16-8-6-14(11-18-16)4-3-9-20/h6,8,11-13,15,20H,5,7,9-10H2,1-2H3,(H,19,21)
InChIKeyOCHZKIPSPIHLCO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 63999206) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID63999206
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C#CCO)cn2)C(C)C1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-15(13(2)10-12)19-17(21)16-8-6-14(11-18-16)4-3-9-20/h6,8,11-13,15,20H,5,7,9-10H2,1-2H3,(H,19,21)
InChIKeyOCHZKIPSPIHLCO-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 64921472
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 63997179
N-(2,4-dimethylcyclohexyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641444
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 83035238
N-(2,4-dimethylcyclohexyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375780
N-(2,4-dimethylcyclohexyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107378326
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627770
N-(2,4-dimethylcyclohexyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63999016

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 63999206) is N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ccc(C#CCO)cn2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is OCHZKIPSPIHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-7-15(13(2)10-12)19-17(21)16-8-6-14(11-18-16)4-3-9-20/h6,8,11-13,15,20H,5,7,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 63999206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).