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

C23H25BrFN3O2 — CID 166831412

IUPAC6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide
SMILESCC1=C(C(=O)NC2CCCCC2)C(O)N(Cc2ccc(F)cc2)c2ncc(Br)cc21
InChIInChI=1S/C23H25BrFN3O2/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/h7-12,18,23,30H,2-6,13H2,1H3,(H,27,29)
InChIKeyLKLBUYPQPRRXGA-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.54
Rot. Bonds4

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

6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide (PubChem CID 166831412) has the molecular formula C23H25BrFN3O2 and a molecular weight of 474.37 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide
PubChem CID166831412
Molecular FormulaC23H25BrFN3O2
Molecular Weight474.37 g/mol
Exact Mass473.11
IUPAC Name6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide
SMILESCC1=C(C(=O)NC2CCCCC2)C(O)N(Cc2ccc(F)cc2)c2ncc(Br)cc21
InChIInChI=1S/C23H25BrFN3O2/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/h7-12,18,23,30H,2-6,13H2,1H3,(H,27,29)
InChIKeyLKLBUYPQPRRXGA-UHFFFAOYSA-N
XLogP4.54
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831354
6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide
CID 166831382
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
6-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
CID 166831356
N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839414
1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide
CID 170309451
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methylpyrazole-3,5-dicarboxamide
CID 142417926
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133361207

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide (CID 166831412) is 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide is CC1=C(C(=O)NC2CCCCC2)C(O)N(Cc2ccc(F)cc2)c2ncc(Br)cc21.
What is the InChIKey of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide?
The InChIKey is LKLBUYPQPRRXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrFN3O2/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/h7-12,18,23,30H,2-6,13H2,1H3,(H,27,29).
What are the key properties of 6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide?
6-bromo-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 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]-2-hydroxy-4-methyl-2H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).