N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

C26H30N2O3S — CID 155125928

About N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155125928) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 155125928
• Molecular Formula: C26H30N2O3S
• Molecular Weight: 450.60 g/mol
• Exact Mass: 450.20
• IUPAC Name: N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
• SMILES: CC(C)c1c(C(=O)NC2CCOc3ccccc32)sc2c(C3CCCCC3O)ccnc12
• InChI: InChI=1S/C26H30N2O3S/c1-15(2)22-23-24(17(11-13-27-23)16-7-3-5-9-20(16)29)32-25(22)26(30)28-19-12-14-31-21-10-6-4-8-18(19)21/h4,6,8,10-11,13,15-16,19-20,29H,3,5,7,9,12,14H2,1-2H3,(H,28,30)
• InChIKey: PLFVPPNITILUMW-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.60
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155125928) is N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is CC(C)c1c(C(=O)NC2CCOc3ccccc32)sc2c(C3CCCCC3O)ccnc12.

What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is PLFVPPNITILUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-15(2)22-23-24(17(11-13-27-23)16-7-3-5-9-20(16)29)32-25(22)26(30)28-19-12-14-31-21-10-6-4-8-18(19)21/h4,6,8,10-11,13,15-16,19-20,29H,3,5,7,9,12,14H2,1-2H3,(H,28,30).

What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155125928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).