6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide

C21H14BrFN4O2 — CID 166831176

IUPAC6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H14BrFN4O2/c22-15-9-14-10-17(20(28)26-18-3-1-2-8-24-18)21(29)27(19(14)25-11-15)12-13-4-6-16(23)7-5-13/h1-11H,12H2,(H,24,26,28)
InChIKeyUYCXSLFFSMPCGE-UHFFFAOYSA-N
MW453.27 g/mol
LogP3.99
Rot. Bonds4

About 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide

6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831176) has the molecular formula C21H14BrFN4O2 and a molecular weight of 453.27 g/mol. Its IUPAC name is 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831176
Molecular FormulaC21H14BrFN4O2
Molecular Weight453.27 g/mol
Exact Mass452.03
IUPAC Name6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H14BrFN4O2/c22-15-9-14-10-17(20(28)26-18-3-1-2-8-24-18)21(29)27(19(14)25-11-15)12-13-4-6-16(23)7-5-13/h1-11H,12H2,(H,24,26,28)
InChIKeyUYCXSLFFSMPCGE-UHFFFAOYSA-N
XLogP3.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide (CID 166831176) is 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccccn1)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is UYCXSLFFSMPCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN4O2/c22-15-9-14-10-17(20(28)26-18-3-1-2-8-24-18)21(29)27(19(14)25-11-15)12-13-4-6-16(23)7-5-13/h1-11H,12H2,(H,24,26,28).
What are the key properties of 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide?
6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 453.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-fluorophenyl)methyl]-2-oxo-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).