2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide

C25H23N3O2S — CID 1419901

IUPAC2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C25H23N3O2S/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,23,26H,1-2H3,(H,27,29)(H,28,30)
InChIKeyVJSGBIYTMJVNSD-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.26
Rot. Bonds5

About 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide

2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 1419901) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID1419901
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C25H23N3O2S/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,23,26H,1-2H3,(H,27,29)(H,28,30)
InChIKeyVJSGBIYTMJVNSD-UHFFFAOYSA-N
XLogP5.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide 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 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (CID 1419901) is 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is VJSGBIYTMJVNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16-21(24(29)27-18-10-5-3-6-11-18)23(20-14-9-15-31-20)22(17(2)26-16)25(30)28-19-12-7-4-8-13-19/h3-15,23,26H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 429.55 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-N,5-N-diphenyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 1419901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).