methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate

C19H18N2O4S — CID 167965494

IUPACmethyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccncc2)cc1NC(=O)C1CC2(CC(=O)C2)C1
InChIInChI=1S/C19H18N2O4S/c1-25-18(24)16-14(6-15(26-16)11-2-4-20-5-3-11)21-17(23)12-7-19(8-12)9-13(22)10-19/h2-6,12H,7-10H2,1H3,(H,21,23)
InChIKeyFHEBFGXVCSYRFP-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.29
Rot. Bonds4

About methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate

methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate (PubChem CID 167965494) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate
PubChem CID167965494
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Namemethyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccncc2)cc1NC(=O)C1CC2(CC(=O)C2)C1
InChIInChI=1S/C19H18N2O4S/c1-25-18(24)16-14(6-15(26-16)11-2-4-20-5-3-11)21-17(23)12-7-19(8-12)9-13(22)10-19/h2-6,12H,7-10H2,1H3,(H,21,23)
InChIKeyFHEBFGXVCSYRFP-UHFFFAOYSA-N
XLogP3.29
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate (CID 167965494) is methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate is COC(=O)c1sc(-c2ccncc2)cc1NC(=O)C1CC2(CC(=O)C2)C1.
What is the InChIKey of methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate?
The InChIKey is FHEBFGXVCSYRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-25-18(24)16-14(6-15(26-16)11-2-4-20-5-3-11)21-17(23)12-7-19(8-12)9-13(22)10-19/h2-6,12H,7-10H2,1H3,(H,21,23).
What are the key properties of methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate?
methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-oxospiro[3.3]heptane-6-carbonyl)amino]-5-pyridin-4-ylthiophene-2-carboxylate is sourced from PubChem (CID 167965494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).