2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide

C19H12Cl2N4O — CID 109178943

IUPAC2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccn2)c1
InChIInChI=1S/C19H12Cl2N4O/c20-14-4-5-16(21)17(10-14)25-19(26)13-6-7-23-18(9-13)24-15-3-1-2-12(8-15)11-22/h1-10H,(H,23,24)(H,25,26)
InChIKeyVJYOOGQKBVEDKY-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.26
Rot. Bonds4

About 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide

2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 109178943) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
PubChem CID109178943
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccn2)c1
InChIInChI=1S/C19H12Cl2N4O/c20-14-4-5-16(21)17(10-14)25-19(26)13-6-7-23-18(9-13)24-15-3-1-2-12(8-15)11-22/h1-10H,(H,23,24)(H,25,26)
InChIKeyVJYOOGQKBVEDKY-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

2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
CID 109358414
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide (CID 109178943) is 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide is N#Cc1cccc(Nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccn2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is VJYOOGQKBVEDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-14-4-5-16(21)17(10-14)25-19(26)13-6-7-23-18(9-13)24-15-3-1-2-12(8-15)11-22/h1-10H,(H,23,24)(H,25,26).
What are the key properties of 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide?
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-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 2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).