N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide

C26H26N2O6 — CID 42281101

About N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide

N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 42281101) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide
• PubChem CID: 42281101
• Molecular Formula: C26H26N2O6
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.18
• IUPAC Name: N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide
• SMILES: COc1cc(OC)c(C2=CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)c(OC)c1
• InChI: InChI=1S/C26H26N2O6/c1-31-20-15-22(32-2)24(23(16-20)33-3)17-10-12-28(13-11-17)26(30)18-6-8-19(9-7-18)27-25(29)21-5-4-14-34-21/h4-10,14-16H,11-13H2,1-3H3,(H,27,29)
• InChIKey: WVWCVWVSYOIKAW-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide (CID 42281101) is N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide is COc1cc(OC)c(C2=CCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)c(OC)c1.

What is the InChIKey of N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide?

The InChIKey is WVWCVWVSYOIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-31-20-15-22(32-2)24(23(16-20)33-3)17-10-12-28(13-11-17)26(30)18-6-8-19(9-7-18)27-25(29)21-5-4-14-34-21/h4-10,14-16H,11-13H2,1-3H3,(H,27,29).

What are the key properties of N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide?

N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42281101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).