3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide

C25H30N2O5 — CID 42281123

About 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide (PubChem CID 42281123) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
• PubChem CID: 42281123
• Molecular Formula: C25H30N2O5
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.22
• IUPAC Name: 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
• SMILES: COc1cc(OC)c(C2=CCN(C(=O)CNC(=O)c3cc(C)cc(C)c3)CC2)c(OC)c1
• InChI: InChI=1S/C25H30N2O5/c1-16-10-17(2)12-19(11-16)25(29)26-15-23(28)27-8-6-18(7-9-27)24-21(31-4)13-20(30-3)14-22(24)32-5/h6,10-14H,7-9,15H2,1-5H3,(H,26,29)
• InChIKey: BKKDZMDKVZPHNM-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?

The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide (CID 42281123) is 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?

The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide is COc1cc(OC)c(C2=CCN(C(=O)CNC(=O)c3cc(C)cc(C)c3)CC2)c(OC)c1.

What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?

The InChIKey is BKKDZMDKVZPHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-16-10-17(2)12-19(11-16)25(29)26-15-23(28)27-8-6-18(7-9-27)24-21(31-4)13-20(30-3)14-22(24)32-5/h6,10-14H,7-9,15H2,1-5H3,(H,26,29).

What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide?

3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide has a molecular weight of 438.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42281123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).