N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

C14H13ClN2OS — CID 2537444

IUPACN-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-19-14-11(6-4-8-16-14)13(18)17-9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIAEQCHXUPDOLKW-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.39
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2537444) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2537444
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-19-14-11(6-4-8-16-14)13(18)17-9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyIAEQCHXUPDOLKW-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 2537444) is N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is IAEQCHXUPDOLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-14-11(6-4-8-16-14)13(18)17-9-10-5-2-3-7-12(10)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 292.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2537444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).