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

C14H14N2O3S — CID 705283

IUPACmethyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1C
InChIInChI=1S/C14H14N2O3S/c1-8-9(2)20-13(11(8)14(18)19-3)16-12(17)10-5-4-6-15-7-10/h4-7H,1-3H3,(H,16,17)
InChIKeyRFGUVFFDBNGNSC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.80
Rot. Bonds3

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

methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (PubChem CID 705283) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
PubChem CID705283
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1C
InChIInChI=1S/C14H14N2O3S/c1-8-9(2)20-13(11(8)14(18)19-3)16-12(17)10-5-4-6-15-7-10/h4-7H,1-3H3,(H,16,17)
InChIKeyRFGUVFFDBNGNSC-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate (CID 705283) is methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
The InChIKey is RFGUVFFDBNGNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-9(2)20-13(11(8)14(18)19-3)16-12(17)10-5-4-6-15-7-10/h4-7H,1-3H3,(H,16,17).
What are the key properties of methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 705283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).