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

C24H25N5O4S — CID 24797413

IUPAC3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2cc(C)no2)C3)c1
InChIInChI=1S/C24H25N5O4S/c1-15-10-18(33-28-15)13-26-24(31)29-9-8-19-20(12-25)23(34-21(19)14-29)27-22(30)7-6-16-4-3-5-17(11-16)32-2/h3-5,10-11H,6-9,13-14H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyDRZBKZISIPSLGG-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.76
Rot. Bonds7

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

3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 24797413) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID24797413
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2cc(C)no2)C3)c1
InChIInChI=1S/C24H25N5O4S/c1-15-10-18(33-28-15)13-26-24(31)29-9-8-19-20(12-25)23(34-21(19)14-29)27-22(30)7-6-16-4-3-5-17(11-16)32-2/h3-5,10-11H,6-9,13-14H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyDRZBKZISIPSLGG-UHFFFAOYSA-N
XLogP3.76
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide 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 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 24797413) is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-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-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2cc(C)no2)C3)c1.
What is the InChIKey of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is DRZBKZISIPSLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15-10-18(33-28-15)13-26-24(31)29-9-8-19-20(12-25)23(34-21(19)14-29)27-22(30)7-6-16-4-3-5-17(11-16)32-2/h3-5,10-11H,6-9,13-14H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.76, 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-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 24797413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).