6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H25F3N6O4 — CID 152853923

About 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 152853923) has the molecular formula C24H25F3N6O4 and a molecular weight of 518.50 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 152853923
• Molecular Formula: C24H25F3N6O4
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.19
• IUPAC Name: 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CCCOC(F)(F)F)c(C#N)cn1)CCC2
• InChI: InChI=1S/C24H25F3N6O4/c1-15(35)32(2)13-18-9-17-5-3-7-33(22(17)30-20(18)14-34)23(36)31-21-10-16(19(11-28)12-29-21)6-4-8-37-24(25,26)27/h9-10,12,14H,3-8,13H2,1-2H3,(H,29,31,36)
• InChIKey: TVXOMSPMEVLIRI-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 152853923) is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CCCOC(F)(F)F)c(C#N)cn1)CCC2.

What is the InChIKey of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is TVXOMSPMEVLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4/c1-15(35)32(2)13-18-9-17-5-3-7-33(22(17)30-20(18)14-34)23(36)31-21-10-16(19(11-28)12-29-21)6-4-8-37-24(25,26)27/h9-10,12,14H,3-8,13H2,1-2H3,(H,29,31,36).

What are the key properties of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 152853923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).