5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C16H11BrFN3O2 — CID 22346401

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1O
InChIInChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)
InChIKeyVRVGOUHPADQNHC-UHFFFAOYSA-N
MW376.19 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 22346401) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID22346401
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1O
InChIInChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23)
InChIKeyVRVGOUHPADQNHC-UHFFFAOYSA-N
XLogP3.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 22346401) is 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1O.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is VRVGOUHPADQNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-15-11-2-1-7-19-12(11)14(22)13(21-15)16(23)20-8-9-3-5-10(18)6-4-9/h1-7,22H,8H2,(H,20,23).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 376.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 22346401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).