methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C15H14N2O3S — CID 718813

IUPACmethyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC2
InChIInChI=1S/C15H14N2O3S/c1-20-15(19)12-10-5-2-6-11(10)21-14(12)17-13(18)9-4-3-7-16-8-9/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKeyCCOXWSNNMMKBKA-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.67
Rot. Bonds3

About methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 718813) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID718813
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Namemethyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC2
InChIInChI=1S/C15H14N2O3S/c1-20-15(19)12-10-5-2-6-11(10)21-14(12)17-13(18)9-4-3-7-16-8-9/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKeyCCOXWSNNMMKBKA-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 718813) is methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC2.
What is the InChIKey of methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is CCOXWSNNMMKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-15(19)12-10-5-2-6-11(10)21-14(12)17-13(18)9-4-3-7-16-8-9/h3-4,7-8H,2,5-6H2,1H3,(H,17,18).
What are the key properties of methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 302.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 718813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).