N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide

C19H12Cl2N4O — CID 109246320

IUPACN-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C19H12Cl2N4O/c20-14-4-5-18(17(21)8-14)24-16-7-13(10-23-11-16)19(26)25-15-3-1-2-12(6-15)9-22/h1-8,10-11,24H,(H,25,26)
InChIKeyQBTAIFSYHVNJCT-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.26
Rot. Bonds4

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

N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide (PubChem CID 109246320) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
PubChem CID109246320
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC NameN-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C19H12Cl2N4O/c20-14-4-5-18(17(21)8-14)24-16-7-13(10-23-11-16)19(26)25-15-3-1-2-12(6-15)9-22/h1-8,10-11,24H,(H,25,26)
InChIKeyQBTAIFSYHVNJCT-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

N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109244281
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide (CID 109246320) is N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2cncc(Nc3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide?
The InChIKey is QBTAIFSYHVNJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-14-4-5-18(17(21)8-14)24-16-7-13(10-23-11-16)19(26)25-15-3-1-2-12(6-15)9-22/h1-8,10-11,24H,(H,25,26).
What are the key properties of N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-(2,4-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-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109246320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).