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

C23H18FN3O3 — CID 54752119

IUPAC7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C23H18FN3O3/c24-17-8-6-15(7-9-17)12-26-22(29)19-21(28)20-18(27-23(19)30)11-16(13-25-20)10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,26,29)(H2,27,28,30)
InChIKeyHTJZULVCICQELB-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.29
Rot. Bonds5

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

7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54752119) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54752119
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C23H18FN3O3/c24-17-8-6-15(7-9-17)12-26-22(29)19-21(28)20-18(27-23(19)30)11-16(13-25-20)10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,26,29)(H2,27,28,30)
InChIKeyHTJZULVCICQELB-UHFFFAOYSA-N
XLogP3.29
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54752119) is 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is HTJZULVCICQELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-17-8-6-15(7-9-17)12-26-22(29)19-21(28)20-18(27-23(19)30)11-16(13-25-20)10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,26,29)(H2,27,28,30).
What are the key properties of 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54752119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).