N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C25H32N4OS — CID 42591164

About N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42591164) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
• PubChem CID: 42591164
• Molecular Formula: C25H32N4OS
• Molecular Weight: 436.63 g/mol
• Exact Mass: 436.23
• IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
• SMILES: O=C(c1cc2sccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1
• InChI: InChI=1S/C25H32N4OS/c30-25(23-14-24-22(27-23)10-13-31-24)29(16-19-6-4-11-26-15-19)18-20-7-5-12-28(17-20)21-8-2-1-3-9-21/h4,6,10-11,13-15,20-21,27H,1-3,5,7-9,12,16-18H2/t20-/m1/s1
• InChIKey: PVQRHGCLQIEXOX-HXUWFJFHSA-N
• XLogP: 5.31
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.63
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 42591164) is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

What is the SMILES notation for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The canonical SMILES for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(c1cc2sccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1.

What is the InChIKey of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?

The InChIKey is PVQRHGCLQIEXOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4OS/c30-25(23-14-24-22(27-23)10-13-31-24)29(16-19-6-4-11-26-15-19)18-20-7-5-12-28(17-20)21-8-2-1-3-9-21/h4,6,10-11,13-15,20-21,27H,1-3,5,7-9,12,16-18H2/t20-/m1/s1.

What are the key properties of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?

N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 436.63 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42591164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).