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

C23H25FN4O5 — CID 54679090

IUPAC7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1
InChIInChI=1S/C23H25FN4O5/c1-27(2)18(30)11-15-10-16(24)5-4-14(15)8-13-9-17-20(26-12-13)21(31)19(23(33)28(17)3)22(32)25-6-7-29/h4-5,9-10,12,29,31H,6-8,11H2,1-3H3,(H,25,32)
InChIKeyUKKBGUZJFCAMNU-UHFFFAOYSA-N
MW456.47 g/mol
LogP0.72
Rot. Bonds7

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

7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679090) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54679090
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1
InChIInChI=1S/C23H25FN4O5/c1-27(2)18(30)11-15-10-16(24)5-4-14(15)8-13-9-17-20(26-12-13)21(31)19(23(33)28(17)3)22(32)25-6-7-29/h4-5,9-10,12,29,31H,6-8,11H2,1-3H3,(H,25,32)
InChIKeyUKKBGUZJFCAMNU-UHFFFAOYSA-N
XLogP0.72
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679090) is 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-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-hydroxyethyl)-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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)Cc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCO)c(=O)n(C)c2c1.
What is the InChIKey of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is UKKBGUZJFCAMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-27(2)18(30)11-15-10-16(24)5-4-14(15)8-13-9-17-20(26-12-13)21(31)19(23(33)28(17)3)22(32)25-6-7-29/h4-5,9-10,12,29,31H,6-8,11H2,1-3H3,(H,25,32).
What are the key properties of 7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 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-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).