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

C18H14ClN3OS — CID 10450882

IUPACN-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-14-3-1-4-15(11-14)22-17(23)16-5-2-8-21-18(16)24-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,22,23)
InChIKeyXJTFTJULIRSKQK-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.67
Rot. Bonds5

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

N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 10450882) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID10450882
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1SCc1ccncc1
InChIInChI=1S/C18H14ClN3OS/c19-14-3-1-4-15(11-14)22-17(23)16-5-2-8-21-18(16)24-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,22,23)
InChIKeyXJTFTJULIRSKQK-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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Related Compounds

N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
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CID 146417
SX-517
CID 46897162
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-2-ylsulfanylethylamino)methyl]piperidin-1-yl]methanone
CID 132257069
N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 668893
N3-(4-methylbenzyl)-2-[(3-chlorophenyl)thio]nicotinamide
CID 2799786
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
N-tert-butyl-2-phenylsulfanylpyridine-3-carboxamide
CID 2457942
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2537444
N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 2810930
N-benzyl-2-phenylsulfanylpyridine-3-carboxamide
CID 4797191
N-cyclohexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 8083388

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 10450882) is N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1SCc1ccncc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is XJTFTJULIRSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-3-1-4-15(11-14)22-17(23)16-5-2-8-21-18(16)24-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(3-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-(3-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 10450882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).