7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C24H27FN4O5 — CID 54679091

IUPAC7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CC(=O)N(C)C)cc2n(C)c1=O
InChIInChI=1S/C24H27FN4O5/c1-28(2)19(30)12-16-11-17(25)6-5-15(16)9-14-10-18-21(27-13-14)22(31)20(24(33)29(18)3)23(32)26-7-8-34-4/h5-6,10-11,13,31H,7-9,12H2,1-4H3,(H,26,32)
InChIKeyXWIMRMCRYPRASY-UHFFFAOYSA-N
MW470.50 g/mol
LogP1.38
Rot. Bonds8

About 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679091) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679091
Molecular FormulaC24H27FN4O5
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CC(=O)N(C)C)cc2n(C)c1=O
InChIInChI=1S/C24H27FN4O5/c1-28(2)19(30)12-16-11-17(25)6-5-15(16)9-14-10-18-21(27-13-14)22(31)20(24(33)29(18)3)23(32)26-7-8-34-4/h5-6,10-11,13,31H,7-9,12H2,1-4H3,(H,26,32)
InChIKeyXWIMRMCRYPRASY-UHFFFAOYSA-N
XLogP1.38
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679091) is 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CC(=O)N(C)C)cc2n(C)c1=O.
What is the InChIKey of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is XWIMRMCRYPRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-28(2)19(30)12-16-11-17(25)6-5-15(16)9-14-10-18-21(27-13-14)22(31)20(24(33)29(18)3)23(32)26-7-8-34-4/h5-6,10-11,13,31H,7-9,12H2,1-4H3,(H,26,32).
What are the key properties of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).