N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide

C15H12N2O2 — CID 54923430

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C#CCO)c1cccnc1
InChIInChI=1S/C15H12N2O2/c18-10-4-7-12-5-1-2-8-14(12)17-15(19)13-6-3-9-16-11-13/h1-3,5-6,8-9,11,18H,10H2,(H,17,19)
InChIKeyGEBAUJUOUKJCMI-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.68
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide (PubChem CID 54923430) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
PubChem CID54923430
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C#CCO)c1cccnc1
InChIInChI=1S/C15H12N2O2/c18-10-4-7-12-5-1-2-8-14(12)17-15(19)13-6-3-9-16-11-13/h1-3,5-6,8-9,11,18H,10H2,(H,17,19)
InChIKeyGEBAUJUOUKJCMI-UHFFFAOYSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.68
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-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-sulfonamide
CID 60814918
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide (CID 54923430) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C#CCO)c1cccnc1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GEBAUJUOUKJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-10-4-7-12-5-1-2-8-14(12)17-15(19)13-6-3-9-16-11-13/h1-3,5-6,8-9,11,18H,10H2,(H,17,19).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 54923430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).