5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide

C17H24N2O2 — CID 63927155

IUPAC5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)7-8-14(3)19-17(21)16-10-15(11-18-12-16)6-4-5-9-20/h10-14,20H,5,7-9H2,1-3H3,(H,19,21)
InChIKeyNTFABUVWJPNCCP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds6

About 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide (PubChem CID 63927155) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
PubChem CID63927155
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)7-8-14(3)19-17(21)16-10-15(11-18-12-16)6-4-5-9-20/h10-14,20H,5,7-9H2,1-3H3,(H,19,21)
InChIKeyNTFABUVWJPNCCP-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
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',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
N-hexan-3-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 55033591
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
5-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63283949
N-(2,2-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 79870832
3-(4-hydroxybut-1-ynyl)-5-methyl-N-propan-2-ylbenzamide
CID 115999769
3-[5-(5-methylhexan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77013118
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-ylmethyl)pyridine-3-carboxamide
CID 81177032

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide (CID 63927155) is 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide is CC(C)CCC(C)NC(=O)c1cncc(C#CCCO)c1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
The InChIKey is NTFABUVWJPNCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)7-8-14(3)19-17(21)16-10-15(11-18-12-16)6-4-5-9-20/h10-14,20H,5,7-9H2,1-3H3,(H,19,21).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63927155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).