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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CCCOC(F)(F)F)c(C#N)cn1)CCC2
InChIInChI=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)
InChIKeyTVXOMSPMEVLIRI-UHFFFAOYSA-N
MW518.50 g/mol
LogP3.59
Rot. Bonds8

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 Name6-[[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 CID152853923
Molecular FormulaC24H25F3N6O4
Molecular Weight518.50 g/mol
Exact Mass518.19
IUPAC Name6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[3-(trifluoromethoxy)propyl]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(CCCOC(F)(F)F)c(C#N)cn1)CCC2
InChIInChI=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)
InChIKeyTVXOMSPMEVLIRI-UHFFFAOYSA-N
XLogP3.59
TPSA128.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).

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