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

C25H30F3N7O5 — CID 118037115

IUPAC6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1CN(C)C(C)=O)CCCN2C(=O)Nc1cc(NCCOC(F)(F)F)c(C#N)cn1
InChIInChI=1S/C25H30F3N7O5/c1-15(36)34(2)14-17-10-16-6-5-8-35(22(16)33-21(17)23(38-3)39-4)24(37)32-20-11-19(18(12-29)13-31-20)30-7-9-40-25(26,27)28/h10-11,13,23H,5-9,14H2,1-4H3,(H2,30,31,32,37)
InChIKeyPXLUBXYNTPZIDE-UHFFFAOYSA-N
MW565.55 g/mol
LogP3.55
Rot. Bonds10

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

6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037115) has the molecular formula C25H30F3N7O5 and a molecular weight of 565.55 g/mol. Its IUPAC name is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118037115
Molecular FormulaC25H30F3N7O5
Molecular Weight565.55 g/mol
Exact Mass565.23
IUPAC Name6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1nc2c(cc1CN(C)C(C)=O)CCCN2C(=O)Nc1cc(NCCOC(F)(F)F)c(C#N)cn1
InChIInChI=1S/C25H30F3N7O5/c1-15(36)34(2)14-17-10-16-6-5-8-35(22(16)33-21(17)23(38-3)39-4)24(37)32-20-11-19(18(12-29)13-31-20)30-7-9-40-25(26,27)28/h10-11,13,23H,5-9,14H2,1-4H3,(H2,30,31,32,37)
InChIKeyPXLUBXYNTPZIDE-UHFFFAOYSA-N
XLogP3.55
TPSA141.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.55
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037115) is 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-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-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1nc2c(cc1CN(C)C(C)=O)CCCN2C(=O)Nc1cc(NCCOC(F)(F)F)c(C#N)cn1.
What is the InChIKey of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is PXLUBXYNTPZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N7O5/c1-15(36)34(2)14-17-10-16-6-5-8-35(22(16)33-21(17)23(38-3)39-4)24(37)32-20-11-19(18(12-29)13-31-20)30-7-9-40-25(26,27)28/h10-11,13,23H,5-9,14H2,1-4H3,(H2,30,31,32,37).
What are the key properties of 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 565.55 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-[2-(trifluoromethoxy)ethylamino]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118037115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).