3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide

C17H22N2O2 — CID 107522403

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1CCC(CNC(=O)c2ncccc2C#CCO)CC1
InChIInChI=1S/C17H22N2O2/c1-13-6-8-14(9-7-13)12-19-17(21)16-15(5-3-11-20)4-2-10-18-16/h2,4,10,13-14,20H,6-9,11-12H2,1H3,(H,19,21)
InChIKeyUHNVHSSRTMGEGG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 107522403) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID107522403
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1CCC(CNC(=O)c2ncccc2C#CCO)CC1
InChIInChI=1S/C17H22N2O2/c1-13-6-8-14(9-7-13)12-19-17(21)16-15(5-3-11-20)4-2-10-18-16/h2,4,10,13-14,20H,6-9,11-12H2,1H3,(H,19,21)
InChIKeyUHNVHSSRTMGEGG-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 107522794
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
5-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 63244465
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 107521495
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
3-(3-hydroxyprop-1-ynyl)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 107523343
N-(2-hydroxycycloheptyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523083
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107524154
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 107523284
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide (CID 107522403) is 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide is CC1CCC(CNC(=O)c2ncccc2C#CCO)CC1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is UHNVHSSRTMGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-8-14(9-7-13)12-19-17(21)16-15(5-3-11-20)4-2-10-18-16/h2,4,10,13-14,20H,6-9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107522403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).