3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide

C17H22N2O2 — CID 66483437

IUPAC3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccncc2C#CCO)CC1
InChIInChI=1S/C17H22N2O2/c1-13-5-7-15(8-6-13)19(2)17(21)16-9-10-18-12-14(16)4-3-11-20/h9-10,12-13,15,20H,5-8,11H2,1-2H3
InChIKeyZFMVFXFCQRWYEM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 66483437) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID66483437
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCC(N(C)C(=O)c2ccncc2C#CCO)CC1
InChIInChI=1S/C17H22N2O2/c1-13-5-7-15(8-6-13)19(2)17(21)16-9-10-18-12-14(16)4-3-11-20/h9-10,12-13,15,20H,5-8,11H2,1-2H3
InChIKeyZFMVFXFCQRWYEM-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 66484044
(2,4-dimethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66484614
3-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 66482509
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 66482656
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111346
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 83112396
(4-hydroxypiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66483024
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-(2-cyclopentylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482847

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide (CID 66483437) is 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide is CC1CCC(N(C)C(=O)c2ccncc2C#CCO)CC1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is ZFMVFXFCQRWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-5-7-15(8-6-13)19(2)17(21)16-9-10-18-12-14(16)4-3-11-20/h9-10,12-13,15,20H,5-8,11H2,1-2H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).