N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide

C15H16N2O2S — CID 926704

IUPACN-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2SC)cc1
InChIInChI=1S/C15H16N2O2S/c1-3-19-12-8-6-11(7-9-12)17-14(18)13-5-4-10-16-15(13)20-2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyMBEMTRCHEBOWSF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.45
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 926704) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID926704
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccnc2SC)cc1
InChIInChI=1S/C15H16N2O2S/c1-3-19-12-8-6-11(7-9-12)17-14(18)13-5-4-10-16-15(13)20-2/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyMBEMTRCHEBOWSF-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 926704) is N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cccnc2SC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is MBEMTRCHEBOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-19-12-8-6-11(7-9-12)17-14(18)13-5-4-10-16-15(13)20-2/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 926704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).