N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide

C34H43N3O4 — CID 10120302

About N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide

N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 10120302) has the molecular formula C34H43N3O4 and a molecular weight of 557.74 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
• PubChem CID: 10120302
• Molecular Formula: C34H43N3O4
• Molecular Weight: 557.74 g/mol
• Exact Mass: 557.33
• IUPAC Name: N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide
• SMILES: Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(C4COC(c5ccccc5)OC4)CCCCC3)CC2)nc1
• InChI: InChI=1S/C34H43N3O4/c1-26-12-13-31(35-23-26)37(32(38)30-11-8-22-39-30)29-14-19-36(20-15-29)21-18-34(16-6-3-7-17-34)28-24-40-33(41-25-28)27-9-4-2-5-10-27/h2,4-5,8-13,22-23,28-29,33H,3,6-7,14-21,24-25H2,1H3
• InChIKey: LZIIRJVVCXIJLH-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 68.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.74
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

The IUPAC name of N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide (CID 10120302) is N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide.

What is the SMILES notation for N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

The canonical SMILES for N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide is Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(C4COC(c5ccccc5)OC4)CCCCC3)CC2)nc1.

What is the InChIKey of N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

The InChIKey is LZIIRJVVCXIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O4/c1-26-12-13-31(35-23-26)37(32(38)30-11-8-22-39-30)29-14-19-36(20-15-29)21-18-34(16-6-3-7-17-34)28-24-40-33(41-25-28)27-9-4-2-5-10-27/h2,4-5,8-13,22-23,28-29,33H,3,6-7,14-21,24-25H2,1H3.

What are the key properties of N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide?

N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-2-pyridinyl)-N-[1-[2-[1-(2-phenyl-1,3-dioxan-5-yl)cyclohexyl]ethyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 10120302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).