6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide

C19H12Cl2N4O — CID 109164958

IUPAC6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cn2)cc1
InChIInChI=1S/C19H12Cl2N4O/c20-15-2-1-3-16(18(15)21)25-19(26)13-6-9-17(23-11-13)24-14-7-4-12(10-22)5-8-14/h1-9,11H,(H,23,24)(H,25,26)
InChIKeyAQQKOPCHFSPDBG-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.26
Rot. Bonds4

About 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide

6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 109164958) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
PubChem CID109164958
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cn2)cc1
InChIInChI=1S/C19H12Cl2N4O/c20-15-2-1-3-16(18(15)21)25-19(26)13-6-9-17(23-11-13)24-14-7-4-12(10-22)5-8-14/h1-9,11H,(H,23,24)(H,25,26)
InChIKeyAQQKOPCHFSPDBG-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

6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
N-(2-bromophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164781
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
6-(4-bromoanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163836
4-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109222661
6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
6-(4-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109164747
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109164948

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide (CID 109164958) is 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide is N#Cc1ccc(Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cn2)cc1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is AQQKOPCHFSPDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-15-2-1-3-16(18(15)21)25-19(26)13-6-9-17(23-11-13)24-14-7-4-12(10-22)5-8-14/h1-9,11H,(H,23,24)(H,25,26).
What are the key properties of 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide?
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)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 6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).