1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

C22H20FN3O3 — CID 166831117

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CC2)C1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H20FN3O3/c23-14-5-3-13(4-6-14)12-26-19-16(2-1-9-24-19)18(27)17(21(26)29)20(28)25-15-10-22(11-15)7-8-22/h1-6,9,15,27H,7-8,10-12H2,(H,25,28)
InChIKeyRJOYDJAONBKXED-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.96
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831117) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831117
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CC2)C1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H20FN3O3/c23-14-5-3-13(4-6-14)12-26-19-16(2-1-9-24-19)18(27)17(21(26)29)20(28)25-15-10-22(11-15)7-8-22/h1-6,9,15,27H,7-8,10-12H2,(H,25,28)
InChIKeyRJOYDJAONBKXED-UHFFFAOYSA-N
XLogP2.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (CID 166831117) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is O=C(NC1CC2(CC2)C1)c1c(O)c2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is RJOYDJAONBKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-14-5-3-13(4-6-14)12-26-19-16(2-1-9-24-19)18(27)17(21(26)29)20(28)25-15-10-22(11-15)7-8-22/h1-6,9,15,27H,7-8,10-12H2,(H,25,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).