N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide

C19H12Cl2N4O — CID 109246309

IUPACN-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H12Cl2N4O/c20-17-6-5-15(8-18(17)21)24-16-7-13(10-23-11-16)19(26)25-14-3-1-12(9-22)2-4-14/h1-8,10-11,24H,(H,25,26)
InChIKeyLXRCSRHGEOUOLE-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.26
Rot. Bonds4

About N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide

N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide (PubChem CID 109246309) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
PubChem CID109246309
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC NameN-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H12Cl2N4O/c20-17-6-5-15(8-18(17)21)24-16-7-13(10-23-11-16)19(26)25-14-3-1-12(9-22)2-4-14/h1-8,10-11,24H,(H,25,26)
InChIKeyLXRCSRHGEOUOLE-UHFFFAOYSA-N
XLogP5.26
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109233968
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(4-cyanophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242887
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
N-(2-bromophenyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109246141
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
N-(4-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226990
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide (CID 109246309) is N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cncc(Nc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide?
The InChIKey is LXRCSRHGEOUOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-17-6-5-15(8-18(17)21)24-16-7-13(10-23-11-16)19(26)25-14-3-1-12(9-22)2-4-14/h1-8,10-11,24H,(H,25,26).
What are the key properties of N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide?
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide has a molecular weight of 383.24 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109246309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).