5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide

C16H14N2O2 — CID 62960751

IUPAC5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(C#CCCO)cn1
InChIInChI=1S/C16H14N2O2/c19-11-5-4-6-13-9-10-15(17-12-13)16(20)18-14-7-2-1-3-8-14/h1-3,7-10,12,19H,5,11H2,(H,18,20)
InChIKeyIMPYGDWFWZSHCN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide (PubChem CID 62960751) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
PubChem CID62960751
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(C#CCCO)cn1
InChIInChI=1S/C16H14N2O2/c19-11-5-4-6-13-9-10-15(17-12-13)16(20)18-14-7-2-1-3-8-14/h1-3,7-10,12,19H,5,11H2,(H,18,20)
InChIKeyIMPYGDWFWZSHCN-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide (CID 62960751) is 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1ccc(C#CCCO)cn1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide?
The InChIKey is IMPYGDWFWZSHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-11-5-4-6-13-9-10-15(17-12-13)16(20)18-14-7-2-1-3-8-14/h1-3,7-10,12,19H,5,11H2,(H,18,20).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.07, 3 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-phenylpyridine-2-carboxamide is sourced from PubChem (CID 62960751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).