6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide

C13H15N3O2S — CID 4746826

IUPAC6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide
SMILESC=C1NC(C)=C(C(N)=O)C(c2cccs2)C1C(N)=O
InChIInChI=1S/C13H15N3O2S/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,9,11,16H,1H2,2H3,(H2,14,17)(H2,15,18)
InChIKeyIPVYLCYGLFVBBG-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.81
Rot. Bonds3

About 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide

6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide (PubChem CID 4746826) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide
PubChem CID4746826
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide
SMILESC=C1NC(C)=C(C(N)=O)C(c2cccs2)C1C(N)=O
InChIInChI=1S/C13H15N3O2S/c1-6-9(12(14)17)11(8-4-3-5-19-8)10(13(15)18)7(2)16-6/h3-5,9,11,16H,1H2,2H3,(H2,14,17)(H2,15,18)
InChIKeyIPVYLCYGLFVBBG-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide?
The IUPAC name of 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide (CID 4746826) is 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide is C=C1NC(C)=C(C(N)=O)C(c2cccs2)C1C(N)=O.
What is the InChIKey of 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide?
The InChIKey is IPVYLCYGLFVBBG-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/h3-5,9,11,16H,1H2,2H3,(H2,14,17)(H2,15,18).
What are the key properties of 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide?
6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide has a molecular weight of 277.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 4746826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).