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

C18H14ClN3OS — CID 23093763

IUPACN-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ncccc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-14-3-5-15(6-4-14)22-18(23)17-16(2-1-9-21-17)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23)
InChIKeyUVKXKGWBQZSUEL-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.67
Rot. Bonds5

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

N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide (PubChem CID 23093763) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
PubChem CID23093763
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ncccc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-14-3-5-15(6-4-14)22-18(23)17-16(2-1-9-21-17)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23)
InChIKeyUVKXKGWBQZSUEL-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-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 114791988
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
N-(3-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10316510
N-(4-chloro-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23094003
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074
N-(4-fluorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093786
3-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazine-2,3-dicarboxamide
CID 154744382
N-(3-chloro-4-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 23093841

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide (CID 23093763) is N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ncccc1SCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide?
The InChIKey is UVKXKGWBQZSUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-3-5-15(6-4-14)22-18(23)17-16(2-1-9-21-17)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide?
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-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-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 23093763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).