3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide

C16H22N2O2 — CID 107522733

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ncccc1C#CCO
InChIInChI=1S/C16H22N2O2/c1-4-12(2)11-13(3)18-16(20)15-14(8-6-10-19)7-5-9-17-15/h5,7,9,12-13,19H,4,10-11H2,1-3H3,(H,18,20)
InChIKeyLPQUHHRYLJSDTQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.98
Rot. Bonds5

About 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide (PubChem CID 107522733) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
PubChem CID107522733
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ncccc1C#CCO
InChIInChI=1S/C16H22N2O2/c1-4-12(2)11-13(3)18-16(20)15-14(8-6-10-19)7-5-9-17-15/h5,7,9,12-13,19H,4,10-11H2,1-3H3,(H,18,20)
InChIKeyLPQUHHRYLJSDTQ-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
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-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
CID 106021616
3-(3-aminoprop-1-ynyl)-N-(1-ethylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 107524808
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 107521425
3-(3-aminoprop-1-ynyl)-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 107524045
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 107523284
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)pyridine-2-carboxamide
CID 107524450
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide (CID 107522733) is 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide is CCC(C)CC(C)NC(=O)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide?
The InChIKey is LPQUHHRYLJSDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12(2)11-13(3)18-16(20)15-14(8-6-10-19)7-5-9-17-15/h5,7,9,12-13,19H,4,10-11H2,1-3H3,(H,18,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.98, 5 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-methylhexan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107522733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).