2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide

C19H20N4O4S — CID 1478062

IUPAC2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)/N=C1\SCCN1C(=O)c1cccnc1OCC
InChIInChI=1S/C19H20N4O4S/c1-3-26-16-13(7-5-9-20-16)15(24)22-19-23(11-12-28-19)18(25)14-8-6-10-21-17(14)27-4-2/h5-10H,3-4,11-12H2,1-2H3/b22-19-
InChIKeyLQFNVWVDOAMTNQ-QOCHGBHMSA-N
MW400.46 g/mol
LogP2.66
Rot. Bonds6

About 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide

2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide (PubChem CID 1478062) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide
PubChem CID1478062
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)/N=C1\SCCN1C(=O)c1cccnc1OCC
InChIInChI=1S/C19H20N4O4S/c1-3-26-16-13(7-5-9-20-16)15(24)22-19-23(11-12-28-19)18(25)14-8-6-10-21-17(14)27-4-2/h5-10H,3-4,11-12H2,1-2H3/b22-19-
InChIKeyLQFNVWVDOAMTNQ-QOCHGBHMSA-N
XLogP2.66
TPSA93.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]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-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide (CID 1478062) is 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide is CCOc1ncccc1C(=O)/N=C1\SCCN1C(=O)c1cccnc1OCC.
What is the InChIKey of 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide?
The InChIKey is LQFNVWVDOAMTNQ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-26-16-13(7-5-9-20-16)15(24)22-19-23(11-12-28-19)18(25)14-8-6-10-21-17(14)27-4-2/h5-10H,3-4,11-12H2,1-2H3/b22-19-.
What are the key properties of 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide?
2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(2-ethoxypyridine-3-carbonyl)-1,3-thiazolidin-2-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 1478062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).