2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid

C23H25FN4O5 — CID 69482559

IUPAC2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O
InChIInChI=1S/C23H25FN4O5/c1-3-8-25-21(30)18-20(29)19-17(28(22(18)31)10-9-27(2)23(32)33)12-15(13-26-19)11-14-4-6-16(24)7-5-14/h4-7,12-13,29H,3,8-11H2,1-2H3,(H,25,30)(H,32,33)
InChIKeyJJIUKLICIVCHRM-UHFFFAOYSA-N
MW456.47 g/mol
LogP2.58
Rot. Bonds8

About 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid

2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid (PubChem CID 69482559) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
PubChem CID69482559
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
SMILESCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O
InChIInChI=1S/C23H25FN4O5/c1-3-8-25-21(30)18-20(29)19-17(28(22(18)31)10-9-27(2)23(32)33)12-15(13-26-19)11-14-4-6-16(24)7-5-14/h4-7,12-13,29H,3,8-11H2,1-2H3,(H,25,30)(H,32,33)
InChIKeyJJIUKLICIVCHRM-UHFFFAOYSA-N
XLogP2.58
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid (CID 69482559) is 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid is CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O.
What is the InChIKey of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?
The InChIKey is JJIUKLICIVCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-3-8-25-21(30)18-20(29)19-17(28(22(18)31)10-9-27(2)23(32)33)12-15(13-26-19)11-14-4-6-16(24)7-5-14/h4-7,12-13,29H,3,8-11H2,1-2H3,(H,25,30)(H,32,33).
What are the key properties of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?
2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid has a molecular weight of 456.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid is sourced from PubChem (CID 69482559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).