1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C22H20FN3O3 — CID 163719533

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC12CC(NC(=O)c3c(O)c4cccnc4n(Cc4ccc(F)cc4)c3=O)(C1)C2
InChIInChI=1S/C22H20FN3O3/c1-21-10-22(11-21,12-21)25-19(28)16-17(27)15-3-2-8-24-18(15)26(20(16)29)9-13-4-6-14(23)7-5-13/h2-8,27H,9-12H2,1H3,(H,25,28)
InChIKeyKQHRWAYCWXVUJT-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.96
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 163719533) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID163719533
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC12CC(NC(=O)c3c(O)c4cccnc4n(Cc4ccc(F)cc4)c3=O)(C1)C2
InChIInChI=1S/C22H20FN3O3/c1-21-10-22(11-21,12-21)25-19(28)16-17(27)15-3-2-8-24-18(15)26(20(16)29)9-13-4-6-14(23)7-5-13/h2-8,27H,9-12H2,1H3,(H,25,28)
InChIKeyKQHRWAYCWXVUJT-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-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 163719533) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC12CC(NC(=O)c3c(O)c4cccnc4n(Cc4ccc(F)cc4)c3=O)(C1)C2.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KQHRWAYCWXVUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-21-10-22(11-21,12-21)25-19(28)16-17(27)15-3-2-8-24-18(15)26(20(16)29)9-13-4-6-14(23)7-5-13/h2-8,27H,9-12H2,1H3,(H,25,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-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-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 163719533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).