5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide

C16H14N2O2 — CID 62958249

IUPAC5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCO)cn1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-18(14-7-3-2-4-8-14)16(20)15-10-9-13(12-17-15)6-5-11-19/h2-4,7-10,12,19H,11H2,1H3
InChIKeyFPENGEQJEQBXMZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.70
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 62958249) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID62958249
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C#CCO)cn1)c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-18(14-7-3-2-4-8-14)16(20)15-10-9-13(12-17-15)6-5-11-19/h2-4,7-10,12,19H,11H2,1H3
InChIKeyFPENGEQJEQBXMZ-UHFFFAOYSA-N
XLogP1.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62959141
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63706259
N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 103103843
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63021060
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62957929

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide (CID 62958249) is 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide is CN(C(=O)c1ccc(C#CCO)cn1)c1ccccc1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is FPENGEQJEQBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18(14-7-3-2-4-8-14)16(20)15-10-9-13(12-17-15)6-5-11-19/h2-4,7-10,12,19H,11H2,1H3.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 62958249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).