6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide

C24H21BrFN3O2 — CID 11754974

IUPAC6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide
SMILESCN1C(=O)C(Cc2cccc(Br)c2)Cc2cc(C(=O)NCc3ccc(F)cc3)cnc21
InChIInChI=1S/C24H21BrFN3O2/c1-29-22-17(11-18(24(29)31)9-16-3-2-4-20(25)10-16)12-19(14-27-22)23(30)28-13-15-5-7-21(26)8-6-15/h2-8,10,12,14,18H,9,11,13H2,1H3,(H,28,30)
InChIKeyCQVPHODSDCPZKO-UHFFFAOYSA-N
MW482.35 g/mol
LogP4.29
Rot. Bonds5

About 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide

6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide (PubChem CID 11754974) has the molecular formula C24H21BrFN3O2 and a molecular weight of 482.35 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide
PubChem CID11754974
Molecular FormulaC24H21BrFN3O2
Molecular Weight482.35 g/mol
Exact Mass481.08
IUPAC Name6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide
SMILESCN1C(=O)C(Cc2cccc(Br)c2)Cc2cc(C(=O)NCc3ccc(F)cc3)cnc21
InChIInChI=1S/C24H21BrFN3O2/c1-29-22-17(11-18(24(29)31)9-16-3-2-4-20(25)10-16)12-19(14-27-22)23(30)28-13-15-5-7-21(26)8-6-15/h2-8,10,12,14,18H,9,11,13H2,1H3,(H,28,30)
InChIKeyCQVPHODSDCPZKO-UHFFFAOYSA-N
XLogP4.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide (CID 11754974) is 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide is CN1C(=O)C(Cc2cccc(Br)c2)Cc2cc(C(=O)NCc3ccc(F)cc3)cnc21.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide?
The InChIKey is CQVPHODSDCPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFN3O2/c1-29-22-17(11-18(24(29)31)9-16-3-2-4-20(25)10-16)12-19(14-27-22)23(30)28-13-15-5-7-21(26)8-6-15/h2-8,10,12,14,18H,9,11,13H2,1H3,(H,28,30).
What are the key properties of 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide?
6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 482.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-N-[(4-fluorophenyl)methyl]-8-methyl-7-oxo-5,6-dihydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 11754974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).