N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

C21H21N3O4S — CID 1172886

IUPACN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1cccnc1
InChIInChI=1S/C21H21N3O4S/c1-3-27-17-12-16(24-21(26)19-8-6-10-29-19)18(28-4-2)11-15(17)23-20(25)14-7-5-9-22-13-14/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOEIVZIJQHGFWMX-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.45
Rot. Bonds8

About N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide

N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (PubChem CID 1172886) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
PubChem CID1172886
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1cccnc1
InChIInChI=1S/C21H21N3O4S/c1-3-27-17-12-16(24-21(26)19-8-6-10-29-19)18(28-4-2)11-15(17)23-20(25)14-7-5-9-22-13-14/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOEIVZIJQHGFWMX-UHFFFAOYSA-N
XLogP4.45
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]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 N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide (CID 1172886) is N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is OEIVZIJQHGFWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-27-17-12-16(24-21(26)19-8-6-10-29-19)18(28-4-2)11-15(17)23-20(25)14-7-5-9-22-13-14/h5-13H,3-4H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide?
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1172886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).