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

C13H15N3O2S — CID 947011

IUPAC2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2cccs2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C13H15N3O2S/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,11,16H,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyHXICMMLVOSUBCK-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.95
Rot. Bonds3

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

2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 947011) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID947011
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(N)=O)C(c2cccs2)C(C(N)=O)=C(C)N1
InChIInChI=1S/C13H15N3O2S/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,11,16H,1-2H3,(H2,14,17)(H2,15,18)
InChIKeyHXICMMLVOSUBCK-UHFFFAOYSA-N
XLogP0.95
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine
CID 774774
2-{[5-Acetyl-3-cyano-6-methyl-4-(2-thienyl)-1,4-dihydro-2-pyridinyl]thio}acetamide
CID 2862283
1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide
CID 46902846
3,3,6,6-tetramethyl-9-(2-thienyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 335173
7,7-dimethyl-4-(3-methylthiophen-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997221
7-(thiophen-2-yl)-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 43841326
5-Methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-thiophen-2-ylmethyl]-1,2-dihydropyrazol-3-one
CID 2927472
3,3'-(thiophen-2-ylmethylene)bis(4-hydroxy-6-methylpyridin-2(1H)-one)
CID 54686406
4-(2-Thienyl)piperidine-2,6-dione
CID 63156726
2-Methyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 4022365
5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 5113226
9-(2-Thienyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 1228682

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide (CID 947011) is 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(N)=O)C(c2cccs2)C(C(N)=O)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is HXICMMLVOSUBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,11,16H,1-2H3,(H2,14,17)(H2,15,18).
What are the key properties of 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 277.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 947011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).