2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide

C13H7Cl2N3O — CID 112523952

IUPAC2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C13H7Cl2N3O/c14-9-1-2-12(11(15)6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19)
InChIKeyWNPPIEDNWQHFHL-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.51
Rot. Bonds2

About 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide

2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 112523952) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
PubChem CID112523952
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Name2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C13H7Cl2N3O/c14-9-1-2-12(11(15)6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19)
InChIKeyWNPPIEDNWQHFHL-UHFFFAOYSA-N
XLogP3.51
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
CID 115115806
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
2-amino-N-(2-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 107810212
2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 4731536
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178937
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167896
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide (CID 112523952) is 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide is N#Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is WNPPIEDNWQHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-9-1-2-12(11(15)6-9)18-13(19)8-3-4-17-10(5-8)7-16/h1-6H,(H,18,19).
What are the key properties of 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide has a molecular weight of 292.13 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 112523952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).