5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide

C19H13ClN4O — CID 109199236

IUPAC5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H13ClN4O/c20-14-2-1-3-16(10-14)23-17-8-9-18(22-12-17)19(25)24-15-6-4-13(11-21)5-7-15/h1-10,12,23H,(H,24,25)
InChIKeyWORRJMZWGXQTPE-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.60
Rot. Bonds4

About 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide

5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109199236) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
PubChem CID109199236
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H13ClN4O/c20-14-2-1-3-16(10-14)23-17-8-9-18(22-12-17)19(25)24-15-6-4-13(11-21)5-7-15/h1-10,12,23H,(H,24,25)
InChIKeyWORRJMZWGXQTPE-UHFFFAOYSA-N
XLogP4.60
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5-(4-cyanoanilino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109200559
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109199613
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide (CID 109199236) is 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ccc(Nc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is WORRJMZWGXQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-14-2-1-3-16(10-14)23-17-8-9-18(22-12-17)19(25)24-15-6-4-13(11-21)5-7-15/h1-10,12,23H,(H,24,25).
What are the key properties of 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide?
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).