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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).