2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C23H20N4O3S — CID 11611761

IUPAC2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESN#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCCc1ccccn1)C2
InChIInChI=1S/C23H20N4O3S/c24-14-19-18-9-12-27(23(29)30-13-10-17-8-4-5-11-25-17)15-20(18)31-22(19)26-21(28)16-6-2-1-3-7-16/h1-8,11H,9-10,12-13,15H2,(H,26,28)
InChIKeyWYVIKPCODRBFBS-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.00
Rot. Bonds5

About 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 11611761) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID11611761
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESN#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCCc1ccccn1)C2
InChIInChI=1S/C23H20N4O3S/c24-14-19-18-9-12-27(23(29)30-13-10-17-8-4-5-11-25-17)15-20(18)31-22(19)26-21(28)16-6-2-1-3-7-16/h1-8,11H,9-10,12-13,15H2,(H,26,28)
InChIKeyWYVIKPCODRBFBS-UHFFFAOYSA-N
XLogP4.00
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 11611761) is 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCCc1ccccn1)C2.
What is the InChIKey of 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is WYVIKPCODRBFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c24-14-19-18-9-12-27(23(29)30-13-10-17-8-4-5-11-25-17)15-20(18)31-22(19)26-21(28)16-6-2-1-3-7-16/h1-8,11H,9-10,12-13,15H2,(H,26,28).
What are the key properties of 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 432.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 11611761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).