2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide

C18H21N3O3S — CID 2541909

IUPAC2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C18H21N3O3S/c1-4-24-17-13(8-7-11-19-17)18(23)21(2)12-16(22)20-14-9-5-6-10-15(14)25-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyTXHPLTFROHASPZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.91
Rot. Bonds7

About 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide

2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 2541909) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID2541909
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccccc1SC
InChIInChI=1S/C18H21N3O3S/c1-4-24-17-13(8-7-11-19-17)18(23)21(2)12-16(22)20-14-9-5-6-10-15(14)25-3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyTXHPLTFROHASPZ-UHFFFAOYSA-N
XLogP2.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
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2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide
CID 8897416
(4-Isopropylpiperazin-1-yl)(6-(4-(methylthio)phenoxy)pyridin-3-yl)methanone
CID 24771243
N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-ethoxypyridine-3-carboxamide
CID 2079602
2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 2084510
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
2-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyridine-3-carboxamide
CID 2532761
2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 3981165
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-{2-[4-(methylthio)phenyl]ethyl}acetamide
CID 16021220

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide (CID 2541909) is 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)N(C)CC(=O)Nc1ccccc1SC.
What is the InChIKey of 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is TXHPLTFROHASPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-4-24-17-13(8-7-11-19-17)18(23)21(2)12-16(22)20-14-9-5-6-10-15(14)25-3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide?
2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2541909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).