4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide

C25H25N3O2S — CID 5302623

IUPAC4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H25N3O2S/c1-5-14-28(15-6-2)25(30)23-22(21-17(3)16-18(4)26-24(21)31-23)27-20(29)13-12-19-10-8-7-9-11-19/h5-13,16H,1-2,14-15H2,3-4H3,(H,27,29)/b13-12+
InChIKeyIVDILTODMYQTPC-OUKQBFOZSA-N
MW431.56 g/mol
LogP5.38
Rot. Bonds8

About 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide

4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5302623) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID5302623
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H25N3O2S/c1-5-14-28(15-6-2)25(30)23-22(21-17(3)16-18(4)26-24(21)31-23)27-20(29)13-12-19-10-8-7-9-11-19/h5-13,16H,1-2,14-15H2,3-4H3,(H,27,29)/b13-12+
InChIKeyIVDILTODMYQTPC-OUKQBFOZSA-N
XLogP5.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-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 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide (CID 5302623) is 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide is C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IVDILTODMYQTPC-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-5-14-28(15-6-2)25(30)23-22(21-17(3)16-18(4)26-24(21)31-23)27-20(29)13-12-19-10-8-7-9-11-19/h5-13,16H,1-2,14-15H2,3-4H3,(H,27,29)/b13-12+.
What are the key properties of 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide?
4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]-N,N-bis(prop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5302623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).