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

C23H23BrFN3O2 — CID 166831354

IUPAC6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)c2ncc(Br)cc12
InChIInChI=1S/C23H23BrFN3O2/c1-14-19-11-16(24)12-26-21(19)28(13-15-7-9-17(25)10-8-15)23(30)20(14)22(29)27-18-5-3-2-4-6-18/h7-12,18H,2-6,13H2,1H3,(H,27,29)
InChIKeyFHGHQBGTAHFJSG-UHFFFAOYSA-N
MW472.36 g/mol
LogP4.72
Rot. Bonds4

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

6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831354) has the molecular formula C23H23BrFN3O2 and a molecular weight of 472.36 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831354
Molecular FormulaC23H23BrFN3O2
Molecular Weight472.36 g/mol
Exact Mass471.10
IUPAC Name6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)c2ncc(Br)cc12
InChIInChI=1S/C23H23BrFN3O2/c1-14-19-11-16(24)12-26-21(19)28(13-15-7-9-17(25)10-8-15)23(30)20(14)22(29)27-18-5-3-2-4-6-18/h7-12,18H,2-6,13H2,1H3,(H,27,29)
InChIKeyFHGHQBGTAHFJSG-UHFFFAOYSA-N
XLogP4.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
CID 166831356
6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide
CID 166831412
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-(4-propan-2-yloxyphenyl)-1,8-naphthyridine-3-carboxamide
CID 166831128
6-(5-cyano-2-pyridinyl)-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 163883333
5-bromo-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 162644960
N-cyclohexyl-2-[(4-fluorophenyl)methyl]-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50774863
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719603
1-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719605
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620734
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831354) is 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccc(F)cc2)c2ncc(Br)cc12.
What is the InChIKey of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FHGHQBGTAHFJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFN3O2/c1-14-19-11-16(24)12-26-21(19)28(13-15-7-9-17(25)10-8-15)23(30)20(14)22(29)27-18-5-3-2-4-6-18/h7-12,18H,2-6,13H2,1H3,(H,27,29).
What are the key properties of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 472.36 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-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).