N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

C25H20BrN3O3 — CID 20929809

IUPACN-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C25H20BrN3O3/c1-16-7-12-20-24(32)21(23(31)18-8-10-19(26)11-9-18)14-29(25(20)28-16)15-22(30)27-13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,27,30)
InChIKeyLORBOYGLHWJLIZ-UHFFFAOYSA-N
MW490.36 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 20929809) has the molecular formula C25H20BrN3O3 and a molecular weight of 490.36 g/mol. Its IUPAC name is N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
PubChem CID20929809
Molecular FormulaC25H20BrN3O3
Molecular Weight490.36 g/mol
Exact Mass489.07
IUPAC NameN-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C25H20BrN3O3/c1-16-7-12-20-24(32)21(23(31)18-8-10-19(26)11-9-18)14-29(25(20)28-16)15-22(30)27-13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,27,30)
InChIKeyLORBOYGLHWJLIZ-UHFFFAOYSA-N
XLogP4.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929725
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 22424622
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20929787
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-phenylacetamide
CID 20929612
2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20929556
N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950215
N-(2,6-dimethylphenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929570
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 20929649
N-(2,5-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929530
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
N-(3,4-dimethylphenyl)-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 20929809) is N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is Cc1ccc2c(=O)c(C(=O)c3ccc(Br)cc3)cn(CC(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
The InChIKey is LORBOYGLHWJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O3/c1-16-7-12-20-24(32)21(23(31)18-8-10-19(26)11-9-18)14-29(25(20)28-16)15-22(30)27-13-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,27,30).
What are the key properties of N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?
N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 490.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 20929809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).