N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide

C20H13ClN2O — CID 2822311

IUPACN-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C20H13ClN2O/c21-18-8-10-19(11-9-18)23-20(24)17-12-16(13-22-14-17)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,23,24)
InChIKeyXYHVENHARHKKDE-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.39
Rot. Bonds2

About N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide

N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide (PubChem CID 2822311) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
PubChem CID2822311
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC NameN-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cncc(C#Cc2ccccc2)c1
InChIInChI=1S/C20H13ClN2O/c21-18-8-10-19(11-9-18)23-20(24)17-12-16(13-22-14-17)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,23,24)
InChIKeyXYHVENHARHKKDE-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.39
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

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 58866923
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 87248784
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
1-methyl-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]thiourea
CID 2822395
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
5-[2-[4-[(4-methylbenzoyl)amino]phenyl]ethynyl]-N-(methyl-oxo-phenyl-λ6-sulfanylidene)pyridine-3-carboxamide
CID 24952784
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide (CID 2822311) is N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cncc(C#Cc2ccccc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide?
The InChIKey is XYHVENHARHKKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-18-8-10-19(11-9-18)23-20(24)17-12-16(13-22-14-17)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide is sourced from PubChem (CID 2822311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).