6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide

C19H11Cl2N3OS — CID 1471759

IUPAC6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C19H11Cl2N3OS/c20-14-3-5-15(6-4-14)26-17-7-1-12(10-22)9-16(17)24-19(25)13-2-8-18(21)23-11-13/h1-9,11H,(H,24,25)
InChIKeyVDFMFWQGWBZINQ-UHFFFAOYSA-N
MW400.29 g/mol
LogP5.66
Rot. Bonds4

About 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide

6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide (PubChem CID 1471759) has the molecular formula C19H11Cl2N3OS and a molecular weight of 400.29 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide
PubChem CID1471759
Molecular FormulaC19H11Cl2N3OS
Molecular Weight400.29 g/mol
Exact Mass399.00
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C19H11Cl2N3OS/c20-14-3-5-15(6-4-14)26-17-7-1-12(10-22)9-16(17)24-19(25)13-2-8-18(21)23-11-13/h1-9,11H,(H,24,25)
InChIKeyVDFMFWQGWBZINQ-UHFFFAOYSA-N
XLogP5.66
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.29
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
N-(2-chloro-4-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 103799813
3-chloro-4-(4-chlorophenyl)sulfanylbenzonitrile
CID 63538752
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
4-cyano-N-(2,6-dichloro-3-pyridinyl)benzamide
CID 89406457
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide (CID 1471759) is 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide is N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide?
The InChIKey is VDFMFWQGWBZINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3OS/c20-14-3-5-15(6-4-14)26-17-7-1-12(10-22)9-16(17)24-19(25)13-2-8-18(21)23-11-13/h1-9,11H,(H,24,25).
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide?
6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide has a molecular weight of 400.29 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-cyanophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1471759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).