7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide

C23H23FN4O4 — CID 54698986

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C23H23FN4O4/c24-16-6-4-14(5-7-16)11-15-12-17-20(26-13-15)21(30)19(23(32)27-17)22(31)25-8-2-10-28-9-1-3-18(28)29/h4-7,12-13H,1-3,8-11H2,(H,25,31)(H2,27,30,32)
InChIKeyGXQOKLJRGLAGLA-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.10
Rot. Bonds7

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54698986) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54698986
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C23H23FN4O4/c24-16-6-4-14(5-7-16)11-15-12-17-20(26-13-15)21(30)19(23(32)27-17)22(31)25-8-2-10-28-9-1-3-18(28)29/h4-7,12-13H,1-3,8-11H2,(H,25,31)(H2,27,30,32)
InChIKeyGXQOKLJRGLAGLA-UHFFFAOYSA-N
XLogP2.10
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide (CID 54698986) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is GXQOKLJRGLAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c24-16-6-4-14(5-7-16)11-15-12-17-20(26-13-15)21(30)19(23(32)27-17)22(31)25-8-2-10-28-9-1-3-18(28)29/h4-7,12-13H,1-3,8-11H2,(H,25,31)(H2,27,30,32).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54698986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).