N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C22H25N3O2S — CID 93479211

About N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 93479211) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 93479211
• Molecular Formula: C22H25N3O2S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.17
• IUPAC Name: N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(C(c2ccccn2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1
• InChI: InChI=1S/C22H25N3O2S/c1-15-8-11-25(12-9-15)20(18-6-3-4-10-23-18)17-14-16(2)28-22(17)24-21(26)19-7-5-13-27-19/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,24,26)
• InChIKey: AITREDRRRCOVAA-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 93479211) is N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(C(c2ccccn2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1.

What is the InChIKey of N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is AITREDRRRCOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-8-11-25(12-9-15)20(18-6-3-4-10-23-18)17-14-16(2)28-22(17)24-21(26)19-7-5-13-27-19/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,24,26).

What are the key properties of N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide?

N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).