5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide

C25H23F3N4O2 — CID 11488191

About 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide

5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide (PubChem CID 11488191) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
• PubChem CID: 11488191
• Molecular Formula: C25H23F3N4O2
• Molecular Weight: 468.48 g/mol
• Exact Mass: 468.18
• IUPAC Name: 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide
• SMILES: [H]/N=C1/C(C(=O)N(C)C)C(c2ccc(C#N)cc2)C(C(C)=O)=C(C)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H23F3N4O2/c1-14-20(15(2)33)21(17-10-8-16(13-29)9-11-17)22(24(34)31(3)4)23(30)32(14)19-7-5-6-18(12-19)25(26,27)28/h5-12,21-22,30H,1-4H3/b30-23-
• InChIKey: XVLKGMJKPWCPEF-WMMMYUQOSA-N
• XLogP: 4.73
• TPSA: 88.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.48
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

The IUPAC name of 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide (CID 11488191) is 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide.

What is the SMILES notation for 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

The canonical SMILES for 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide is [H]/N=C1/C(C(=O)N(C)C)C(c2ccc(C#N)cc2)C(C(C)=O)=C(C)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

The InChIKey is XVLKGMJKPWCPEF-WMMMYUQOSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-14-20(15(2)33)21(17-10-8-16(13-29)9-11-17)22(24(34)31(3)4)23(30)32(14)19-7-5-6-18(12-19)25(26,27)28/h5-12,21-22,30H,1-4H3/b30-23-.

What are the key properties of 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide?

5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-4-(4-cyanophenyl)-2-imino-N,N,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 11488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).