3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide

C20H26BrN3O2 — CID 11122642

IUPAC3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2=CNC3=C(C2)CN(C)CC3(C)C)cc1Br
InChIInChI=1S/C20H26BrN3O2/c1-5-26-17-7-6-13(9-16(17)21)19(25)23-15-8-14-11-24(4)12-20(2,3)18(14)22-10-15/h6-7,9-10,22H,5,8,11-12H2,1-4H3,(H,23,25)
InChIKeySFJUBCDPDUZVBV-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.64
Rot. Bonds4

About 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide

3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide (PubChem CID 11122642) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide
PubChem CID11122642
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2=CNC3=C(C2)CN(C)CC3(C)C)cc1Br
InChIInChI=1S/C20H26BrN3O2/c1-5-26-17-7-6-13(9-16(17)21)19(25)23-15-8-14-11-24(4)12-20(2,3)18(14)22-10-15/h6-7,9-10,22H,5,8,11-12H2,1-4H3,(H,23,25)
InChIKeySFJUBCDPDUZVBV-UHFFFAOYSA-N
XLogP3.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide;3-bromo-4-ethyl-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide
CID 70256024
3-bromo-4-methoxy-N-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)benzamide
CID 18382712
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158239
4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
CID 23508175
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-4-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 2212911
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide (CID 11122642) is 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide is CCOc1ccc(C(=O)NC2=CNC3=C(C2)CN(C)CC3(C)C)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide?
The InChIKey is SFJUBCDPDUZVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-5-26-17-7-6-13(9-16(17)21)19(25)23-15-8-14-11-24(4)12-20(2,3)18(14)22-10-15/h6-7,9-10,22H,5,8,11-12H2,1-4H3,(H,23,25).
What are the key properties of 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide?
3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide has a molecular weight of 420.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(6,8,8-trimethyl-1,4,5,7-tetrahydro-1,6-naphthyridin-3-yl)benzamide is sourced from PubChem (CID 11122642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).