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

C18H14ClN3OS — CID 11725783

IUPACN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-14-3-5-15(6-4-14)22-17(23)16-2-1-9-21-18(16)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23)
InChIKeyRJHSHBLFZBDOTN-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.67
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 11725783) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID11725783
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-14-3-5-15(6-4-14)22-17(23)16-2-1-9-21-18(16)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23)
InChIKeyRJHSHBLFZBDOTN-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 11725783) is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is RJHSHBLFZBDOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-3-5-15(6-4-14)22-17(23)16-2-1-9-21-18(16)24-12-13-7-10-20-11-8-13/h1-11H,12H2,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(4-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-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 11725783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).