5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide

C28H23N5O2S — CID 18874393

About 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide

5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 18874393) has the molecular formula C28H23N5O2S and a molecular weight of 493.59 g/mol. Its IUPAC name is 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide
• PubChem CID: 18874393
• Molecular Formula: C28H23N5O2S
• Molecular Weight: 493.59 g/mol
• Exact Mass: 493.16
• IUPAC Name: 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2c(C#N)c(N)nc3c(C(=O)NCc4ccco4)c(Nc4cccc(C)c4)sc23)cc1
• InChI: InChI=1S/C28H23N5O2S/c1-16-8-10-18(11-9-16)22-21(14-29)26(30)33-24-23(27(34)31-15-20-7-4-12-35-20)28(36-25(22)24)32-19-6-3-5-17(2)13-19/h3-13,32H,15H2,1-2H3,(H2,30,33)(H,31,34)
• InChIKey: RMTPXBPWBNSASE-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 116.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.59
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide?

The IUPAC name of 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide (CID 18874393) is 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide is Cc1ccc(-c2c(C#N)c(N)nc3c(C(=O)NCc4ccco4)c(Nc4cccc(C)c4)sc23)cc1.

What is the InChIKey of 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide?

The InChIKey is RMTPXBPWBNSASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2S/c1-16-8-10-18(11-9-16)22-21(14-29)26(30)33-24-23(27(34)31-15-20-7-4-12-35-20)28(36-25(22)24)32-19-6-3-5-17(2)13-19/h3-13,32H,15H2,1-2H3,(H2,30,33)(H,31,34).

What are the key properties of 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide?

5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 6.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-cyano-N-(furan-2-ylmethyl)-2-(3-methylanilino)-7-(4-methylphenyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 18874393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).