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

C24H20FN3O4 — CID 57401611

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)c1
InChIInChI=1S/C24H20FN3O4/c1-32-18-4-2-3-15(10-18)12-27-23(30)20-22(29)21-19(28-24(20)31)11-16(13-26-21)9-14-5-7-17(25)8-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyCBSXIVIKLPREOK-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.30
Rot. Bonds6

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 57401611) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID57401611
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)c1
InChIInChI=1S/C24H20FN3O4/c1-32-18-4-2-3-15(10-18)12-27-23(30)20-22(29)21-19(28-24(20)31)11-16(13-26-21)9-14-5-7-17(25)8-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyCBSXIVIKLPREOK-UHFFFAOYSA-N
XLogP3.30
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 57401611) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide is COc1cccc(CNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)c1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is CBSXIVIKLPREOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-32-18-4-2-3-15(10-18)12-27-23(30)20-22(29)21-19(28-24(20)31)11-16(13-26-21)9-14-5-7-17(25)8-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.30, 6 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-N-[(3-methoxyphenyl)methyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57401611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).