2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide

C20H18N2OS — CID 3383319

IUPAC2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide
SMILESCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C20H18N2OS/c1-2-24-20-18(19(21)23)16(14-9-5-3-6-10-14)13-17(22-20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,23)
InChIKeyPCGVNCAONNPBPK-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.63
Rot. Bonds5

About 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide

2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide (PubChem CID 3383319) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide
PubChem CID3383319
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide
SMILESCCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C20H18N2OS/c1-2-24-20-18(19(21)23)16(14-9-5-3-6-10-14)13-17(22-20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,23)
InChIKeyPCGVNCAONNPBPK-UHFFFAOYSA-N
XLogP4.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide (CID 3383319) is 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide is CCSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide?
The InChIKey is PCGVNCAONNPBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-2-24-20-18(19(21)23)16(14-9-5-3-6-10-14)13-17(22-20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,23).
What are the key properties of 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide?
2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,6-diphenylpyridine-3-carboxamide is sourced from PubChem (CID 3383319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).