6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide

C15H12N2O — CID 144793661

IUPAC6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide
SMILESC#Cc1cccc(-c2cc(C)cc(C(N)=O)n2)c1
InChIInChI=1S/C15H12N2O/c1-3-11-5-4-6-12(9-11)13-7-10(2)8-14(17-13)15(16)18/h1,4-9H,2H3,(H2,16,18)
InChIKeySJXYJTJTEXRLJV-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.14
Rot. Bonds2

About 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide

6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide (PubChem CID 144793661) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide
PubChem CID144793661
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide
SMILESC#Cc1cccc(-c2cc(C)cc(C(N)=O)n2)c1
InChIInChI=1S/C15H12N2O/c1-3-11-5-4-6-12(9-11)13-7-10(2)8-14(17-13)15(16)18/h1,4-9H,2H3,(H2,16,18)
InChIKeySJXYJTJTEXRLJV-UHFFFAOYSA-N
XLogP2.14
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-ethynylphenyl)-4-pyrimidin-2-ylpyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 144793987
2-(3-ethynylphenyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 145143182
2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide
CID 58872642
methyl 6-(3-ethynylphenyl)-3-methylpyridine-2-carboxylate
CID 144793747
6-amino-4-methylpyridine-2-carboxamide
CID 55253345
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-(6-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 123141214
6-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4-pyrimidin-2-ylpyridine-2-carboxamide
CID 123801360
4-ethynyl-2-(3-methylphenyl)pyridine
CID 171365551
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
6-[3-[2-(3-hydroxy-1,4-dimethyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]pyridine-2-carboxamide
CID 134298153
2-(3-ethynylphenyl)benzene-1,3-dicarboxylic acid
CID 150178179

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide (CID 144793661) is 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide is C#Cc1cccc(-c2cc(C)cc(C(N)=O)n2)c1.
What is the InChIKey of 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide?
The InChIKey is SJXYJTJTEXRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-3-11-5-4-6-12(9-11)13-7-10(2)8-14(17-13)15(16)18/h1,4-9H,2H3,(H2,16,18).
What are the key properties of 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide?
6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 144793661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).