dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate

C15H14N2O5S — CID 896695

IUPACdimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cccnc2)c(C(=O)OC)c1C
InChIInChI=1S/C15H14N2O5S/c1-8-10(14(19)21-2)13(23-11(8)15(20)22-3)17-12(18)9-5-4-6-16-7-9/h4-7H,1-3H3,(H,17,18)
InChIKeyYSTYNTZYIAYCMC-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.28
Rot. Bonds4

About dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate (PubChem CID 896695) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
PubChem CID896695
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Namedimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cccnc2)c(C(=O)OC)c1C
InChIInChI=1S/C15H14N2O5S/c1-8-10(14(19)21-2)13(23-11(8)15(20)22-3)17-12(18)9-5-4-6-16-7-9/h4-7H,1-3H3,(H,17,18)
InChIKeyYSTYNTZYIAYCMC-UHFFFAOYSA-N
XLogP2.28
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-ethyl-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 807614
dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1221956
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4054281
dimethyl 5-[(2-benzamidoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 28694131
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
diethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
CID 1112428
dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 44918808
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
dimethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 3332536

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate (CID 896695) is dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2cccnc2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate?
The InChIKey is YSTYNTZYIAYCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-8-10(14(19)21-2)13(23-11(8)15(20)22-3)17-12(18)9-5-4-6-16-7-9/h4-7H,1-3H3,(H,17,18).
What are the key properties of dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate has a molecular weight of 334.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 896695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).