N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

C16H18N2O2S — CID 2093193

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2SC)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-13-7-5-12(6-8-13)9-11-17-15(19)14-4-3-10-18-16(14)21-2/h3-8,10H,9,11H2,1-2H3,(H,17,19)
InChIKeyUQNIYLYFXZOXIK-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2093193) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2093193
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2SC)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-13-7-5-12(6-8-13)9-11-17-15(19)14-4-3-10-18-16(14)21-2/h3-8,10H,9,11H2,1-2H3,(H,17,19)
InChIKeyUQNIYLYFXZOXIK-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 2093193) is N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2SC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is UQNIYLYFXZOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-13-7-5-12(6-8-13)9-11-17-15(19)14-4-3-10-18-16(14)21-2/h3-8,10H,9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2093193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).