3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide

C17H24N2O2 — CID 106021616

IUPAC3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1ncccc1C#CCO
InChIInChI=1S/C17H24N2O2/c1-3-5-11-15(8-4-2)19-17(21)16-14(10-7-13-20)9-6-12-18-16/h6,9,12,15,20H,3-5,8,11,13H2,1-2H3,(H,19,21)
InChIKeyPCYWJJXRXHKYAS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds7

About 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide (PubChem CID 106021616) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
PubChem CID106021616
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1ncccc1C#CCO
InChIInChI=1S/C17H24N2O2/c1-3-5-11-15(8-4-2)19-17(21)16-14(10-7-13-20)9-6-12-18-16/h6,9,12,15,20H,3-5,8,11,13H2,1-2H3,(H,19,21)
InChIKeyPCYWJJXRXHKYAS-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
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-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
CID 107522733
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195
3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-carboxamide
CID 107524452
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
3-(3-aminoprop-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107524482
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
5-(3-hydroxyprop-1-ynyl)-4-methyl-N-octan-4-ylthiophene-2-carboxamide
CID 106021608
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide (CID 106021616) is 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide is CCCCC(CCC)NC(=O)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide?
The InChIKey is PCYWJJXRXHKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-11-15(8-4-2)19-17(21)16-14(10-7-13-20)9-6-12-18-16/h6,9,12,15,20H,3-5,8,11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.51, 7 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-octan-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 106021616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).