2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide

C16H14N2O2 — CID 79240557

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C#CCO)ccn1
InChIInChI=1S/C16H14N2O2/c1-12-11-14(8-9-17-12)18-16(20)15-7-3-2-5-13(15)6-4-10-19/h2-3,5,7-9,11,19H,10H2,1H3,(H,17,18,20)
InChIKeyXIMPQCUJYSUHTJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.99
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide

2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide (PubChem CID 79240557) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
PubChem CID79240557
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C#CCO)ccn1
InChIInChI=1S/C16H14N2O2/c1-12-11-14(8-9-17-12)18-16(20)15-7-3-2-5-13(15)6-4-10-19/h2-3,5,7-9,11,19H,10H2,1H3,(H,17,18,20)
InChIKeyXIMPQCUJYSUHTJ-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-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 60817021
N-(3-ethylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816213
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
N-(3,5-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816523
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
2-(4-hydroxybut-1-ynyl)-N-(3-methylphenyl)benzamide
CID 60817631
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide (CID 79240557) is 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide is Cc1cc(NC(=O)c2ccccc2C#CCO)ccn1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is XIMPQCUJYSUHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-11-14(8-9-17-12)18-16(20)15-7-3-2-5-13(15)6-4-10-19/h2-3,5,7-9,11,19H,10H2,1H3,(H,17,18,20).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide 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 2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 79240557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).