N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

C18H14ClN3OS — CID 23093981

IUPACN-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-15-5-1-2-6-16(15)22-17(23)14-4-3-9-21-18(14)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23)
InChIKeyHWHUZNXVYXCLGV-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.67
Rot. Bonds5

About N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 23093981) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID23093981
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-15-5-1-2-6-16(15)22-17(23)14-4-3-9-21-18(14)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23)
InChIKeyHWHUZNXVYXCLGV-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 23093981) is N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cccnc1SCc1ccncc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is HWHUZNXVYXCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-15-5-1-2-6-16(15)22-17(23)14-4-3-9-21-18(14)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 355.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 23093981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).