7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine

C14H19BrN4O — CID 104891853

IUPAC7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
SMILESCN(C)CCOCCNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H19BrN4O/c1-19(2)6-8-20-7-5-17-12-3-4-16-13-9-11(15)10-18-14(12)13/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeySSFRJHIHJIKJIW-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.38
Rot. Bonds7

About 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine

7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine (PubChem CID 104891853) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
PubChem CID104891853
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
SMILESCN(C)CCOCCNc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H19BrN4O/c1-19(2)6-8-20-7-5-17-12-3-4-16-13-9-11(15)10-18-14(12)13/h3-4,9-10H,5-8H2,1-2H3,(H,16,17)
InChIKeySSFRJHIHJIKJIW-UHFFFAOYSA-N
XLogP2.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine 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

N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 133482029
1-N,7-N-bis[2-[2-(dimethylamino)ethoxy]ethyl]quinolino[8,7-h]quinoline-1,7-diamine;tetrahydrochloride
CID 155540052
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
CID 104891864
7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483385
7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891886
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 104762658
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol
CID 135525370

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine (CID 104891853) is 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine is CN(C)CCOCCNc1ccnc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is SSFRJHIHJIKJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-19(2)6-8-20-7-5-17-12-3-4-16-13-9-11(15)10-18-14(12)13/h3-4,9-10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 339.24 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).