N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide

C16H14N2O2 — CID 60804032

IUPACN-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccccn1
InChIInChI=1S/C16H14N2O2/c19-12-6-4-8-13-7-1-2-9-14(13)18-16(20)15-10-3-5-11-17-15/h1-3,5,7,9-11,19H,6,12H2,(H,18,20)
InChIKeyQVESMKQENVJLNC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds3

About N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide

N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide (PubChem CID 60804032) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
PubChem CID60804032
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccccn1
InChIInChI=1S/C16H14N2O2/c19-12-6-4-8-13-7-1-2-9-14(13)18-16(20)15-10-3-5-11-17-15/h1-3,5,7,9-11,19H,6,12H2,(H,18,20)
InChIKeyQVESMKQENVJLNC-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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Related Compounds

N-[2-(4-hydroxybut-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82747563
N-[2-(3-methoxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 556133
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 62914335
N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121232
N-[2-(4-hydroxybut-1-ynyl)phenyl]thiophene-3-carboxamide
CID 54923100
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[2-(4-hydroxybut-1-ynyl)phenyl]-5-methylthiophene-2-carboxamide
CID 60803179
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide (CID 60804032) is N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1C#CCCO)c1ccccn1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide?
The InChIKey is QVESMKQENVJLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-12-6-4-8-13-7-1-2-9-14(13)18-16(20)15-10-3-5-11-17-15/h1-3,5,7,9-11,19H,6,12H2,(H,18,20).
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide?
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-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 N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60804032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).