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

C22H21F3N6O4 — CID 118036505

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

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036505) has the molecular formula C22H21F3N6O4 and a molecular weight of 490.44 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036505
• Molecular Formula: C22H21F3N6O4
• Molecular Weight: 490.44 g/mol
• Exact Mass: 490.16
• IUPAC Name: 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-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(OCC(F)(F)F)c(C#N)cn1)CCC2
• InChI: InChI=1S/C22H21F3N6O4/c1-13(33)30(2)10-15-6-14-4-3-5-31(20(14)28-17(15)11-32)21(34)29-19-7-18(16(8-26)9-27-19)35-12-22(23,24)25/h6-7,9,11H,3-5,10,12H2,1-2H3,(H,27,29,34)
• InChIKey: UIZQFXXNNRAAIT-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.44
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036505) is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-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(OCC(F)(F)F)c(C#N)cn1)CCC2.

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

The InChIKey is UIZQFXXNNRAAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O4/c1-13(33)30(2)10-15-6-14-4-3-5-31(20(14)28-17(15)11-32)21(34)29-19-7-18(16(8-26)9-27-19)35-12-22(23,24)25/h6-7,9,11H,3-5,10,12H2,1-2H3,(H,27,29,34).

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

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 490.44 g/mol, XLogP of 3.06, 6 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-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).