N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide

C16H14N2O2 — CID 106753843

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#CCO)ccn1
InChIInChI=1S/C16H14N2O2/c1-12-11-14(8-9-17-12)16(20)18-15-7-3-2-5-13(15)6-4-10-19/h2-3,5,7-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyOMDZUTAYYZHXEW-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide (PubChem CID 106753843) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
PubChem CID106753843
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#CCO)ccn1
InChIInChI=1S/C16H14N2O2/c1-12-11-14(8-9-17-12)16(20)18-15-7-3-2-5-13(15)6-4-10-19/h2-3,5,7-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyOMDZUTAYYZHXEW-UHFFFAOYSA-N
XLogP1.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.99
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-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753851
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335883
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyridine-2-carboxamide
CID 82766969

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide (CID 106753843) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C#CCO)ccn1.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is OMDZUTAYYZHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-11-14(8-9-17-12)16(20)18-15-7-3-2-5-13(15)6-4-10-19/h2-3,5,7-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.99, 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]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).