5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide

C13H7Cl2N3O — CID 2477549

IUPAC5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H7Cl2N3O/c14-11-5-9(7-17-12(11)15)13(19)18-10-3-1-8(6-16)2-4-10/h1-5,7H,(H,18,19)
InChIKeyWHRBHYILYZLLBN-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.51
Rot. Bonds2

About 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide

5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide (PubChem CID 2477549) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
PubChem CID2477549
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Name5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H7Cl2N3O/c14-11-5-9(7-17-12(11)15)13(19)18-10-3-1-8(6-16)2-4-10/h1-5,7H,(H,18,19)
InChIKeyWHRBHYILYZLLBN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248864
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
3-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057551
N-(4-cyanophenyl)-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109246309
5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide (CID 2477549) is 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is WHRBHYILYZLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-11-5-9(7-17-12(11)15)13(19)18-10-3-1-8(6-16)2-4-10/h1-5,7H,(H,18,19).
What are the key properties of 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-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 5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2477549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).