7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine

C17H16BrN3O2S — CID 133465726

IUPAC7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
SMILESCCS(=O)(=O)c1ccc(CNc2ccnc3cc(Br)cnc23)cc1
InChIInChI=1S/C17H16BrN3O2S/c1-2-24(22,23)14-5-3-12(4-6-14)10-20-15-7-8-19-16-9-13(18)11-21-17(15)16/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyOFVQJVKREDQJDX-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.80
Rot. Bonds5

About 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine

7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine (PubChem CID 133465726) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
PubChem CID133465726
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
SMILESCCS(=O)(=O)c1ccc(CNc2ccnc3cc(Br)cnc23)cc1
InChIInChI=1S/C17H16BrN3O2S/c1-2-24(22,23)14-5-3-12(4-6-14)10-20-15-7-8-19-16-9-13(18)11-21-17(15)16/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyOFVQJVKREDQJDX-UHFFFAOYSA-N
XLogP3.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
2-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]-N-tert-butylbenzenesulfonamide
CID 133482451
N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133481732
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
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
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine (CID 133465726) is 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine is CCS(=O)(=O)c1ccc(CNc2ccnc3cc(Br)cnc23)cc1.
What is the InChIKey of 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine?
The InChIKey is OFVQJVKREDQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-2-24(22,23)14-5-3-12(4-6-14)10-20-15-7-8-19-16-9-13(18)11-21-17(15)16/h3-9,11H,2,10H2,1H3,(H,19,20).
What are the key properties of 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine has a molecular weight of 406.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133465726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).