3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C23H23N5O4S — CID 24797411

IUPAC3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccon2)C3)c1
InChIInChI=1S/C23H23N5O4S/c1-31-17-4-2-3-15(11-17)5-6-21(29)26-22-19(12-24)18-7-9-28(14-20(18)33-22)23(30)25-13-16-8-10-32-27-16/h2-4,8,10-11H,5-7,9,13-14H2,1H3,(H,25,30)(H,26,29)
InChIKeyMOEPHNNFVHBYCN-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.46
Rot. Bonds7

About 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 24797411) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID24797411
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccon2)C3)c1
InChIInChI=1S/C23H23N5O4S/c1-31-17-4-2-3-15(11-17)5-6-21(29)26-22-19(12-24)18-7-9-28(14-20(18)33-22)23(30)25-13-16-8-10-32-27-16/h2-4,8,10-11H,5-7,9,13-14H2,1H3,(H,25,30)(H,26,29)
InChIKeyMOEPHNNFVHBYCN-UHFFFAOYSA-N
XLogP3.46
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 24797411) is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccon2)C3)c1.
What is the InChIKey of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is MOEPHNNFVHBYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-31-17-4-2-3-15(11-17)5-6-21(29)26-22-19(12-24)18-7-9-28(14-20(18)33-22)23(30)25-13-16-8-10-32-27-16/h2-4,8,10-11H,5-7,9,13-14H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-(1,2-oxazol-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 24797411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).