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

C29H27FN4O4 — CID 57392896

IUPAC7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2n(CCN2CCCC2=O)c1=O
InChIInChI=1S/C29H27FN4O4/c30-22-10-8-20(9-11-22)17-32-28(37)25-27(36)26-23(16-21(18-31-26)15-19-5-2-1-3-6-19)34(29(25)38)14-13-33-12-4-7-24(33)35/h1-3,5-6,8-11,16,18,36H,4,7,12-15,17H2,(H,32,37)
InChIKeyFLTRTAWGZZZNLI-UHFFFAOYSA-N
MW514.56 g/mol
LogP3.38
Rot. Bonds8

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

7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 57392896) has the molecular formula C29H27FN4O4 and a molecular weight of 514.56 g/mol. Its IUPAC name is 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID57392896
Molecular FormulaC29H27FN4O4
Molecular Weight514.56 g/mol
Exact Mass514.20
IUPAC Name7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2n(CCN2CCCC2=O)c1=O
InChIInChI=1S/C29H27FN4O4/c30-22-10-8-20(9-11-22)17-32-28(37)25-27(36)26-23(16-21(18-31-26)15-19-5-2-1-3-6-19)34(29(25)38)14-13-33-12-4-7-24(33)35/h1-3,5-6,8-11,16,18,36H,4,7,12-15,17H2,(H,32,37)
InChIKeyFLTRTAWGZZZNLI-UHFFFAOYSA-N
XLogP3.38
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 57392896) is 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2n(CCN2CCCC2=O)c1=O.
What is the InChIKey of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is FLTRTAWGZZZNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O4/c30-22-10-8-20(9-11-22)17-32-28(37)25-27(36)26-23(16-21(18-31-26)15-19-5-2-1-3-6-19)34(29(25)38)14-13-33-12-4-7-24(33)35/h1-3,5-6,8-11,16,18,36H,4,7,12-15,17H2,(H,32,37).
What are the key properties of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57392896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).