N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

C15H16N2OS — CID 2576591

IUPACN-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H16N2OS/c1-11-5-7-12(8-6-11)10-17-14(18)13-4-3-9-16-15(13)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPLEUZFWIGZYOAS-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.04
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2576591) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2576591
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H16N2OS/c1-11-5-7-12(8-6-11)10-17-14(18)13-4-3-9-16-15(13)19-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPLEUZFWIGZYOAS-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 2576591) is N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is PLEUZFWIGZYOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-5-7-12(8-6-11)10-17-14(18)13-4-3-9-16-15(13)19-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2576591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).