6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

C24H23BrFN3O2 — CID 166831356

IUPAC6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1c(C(=O)NC2CC3(CCC3)C2)c(=O)n(Cc2ccc(F)cc2)c2ncc(Br)cc12
InChIInChI=1S/C24H23BrFN3O2/c1-14-19-9-16(25)12-27-21(19)29(13-15-3-5-17(26)6-4-15)23(31)20(14)22(30)28-18-10-24(11-18)7-2-8-24/h3-6,9,12,18H,2,7-8,10-11,13H2,1H3,(H,28,30)
InChIKeyNWMDGHLLLYXERM-UHFFFAOYSA-N
MW484.37 g/mol
LogP4.72
Rot. Bonds4

About 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831356) has the molecular formula C24H23BrFN3O2 and a molecular weight of 484.37 g/mol. Its IUPAC name is 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831356
Molecular FormulaC24H23BrFN3O2
Molecular Weight484.37 g/mol
Exact Mass483.10
IUPAC Name6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1c(C(=O)NC2CC3(CCC3)C2)c(=O)n(Cc2ccc(F)cc2)c2ncc(Br)cc12
InChIInChI=1S/C24H23BrFN3O2/c1-14-19-9-16(25)12-27-21(19)29(13-15-3-5-17(26)6-4-15)23(31)20(14)22(30)28-18-10-24(11-18)7-2-8-24/h3-6,9,12,18H,2,7-8,10-11,13H2,1H3,(H,28,30)
InChIKeyNWMDGHLLLYXERM-UHFFFAOYSA-N
XLogP4.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (CID 166831356) is 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is Cc1c(C(=O)NC2CC3(CCC3)C2)c(=O)n(Cc2ccc(F)cc2)c2ncc(Br)cc12.
What is the InChIKey of 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is NWMDGHLLLYXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrFN3O2/c1-14-19-9-16(25)12-27-21(19)29(13-15-3-5-17(26)6-4-15)23(31)20(14)22(30)28-18-10-24(11-18)7-2-8-24/h3-6,9,12,18H,2,7-8,10-11,13H2,1H3,(H,28,30).
What are the key properties of 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 484.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).