7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine

C17H16BrN3O — CID 166460553

IUPAC7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine
SMILESCOc1ccc(CNc2cc(C)c3ncc(Br)cc3n2)cc1
InChIInChI=1S/C17H16BrN3O/c1-11-7-16(21-15-8-13(18)10-20-17(11)15)19-9-12-3-5-14(22-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyZSCFYVBWIJILNG-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.32
Rot. Bonds4

About 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine

7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine (PubChem CID 166460553) has the molecular formula C17H16BrN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine
PubChem CID166460553
Molecular FormulaC17H16BrN3O
Molecular Weight358.24 g/mol
Exact Mass357.05
IUPAC Name7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine
SMILESCOc1ccc(CNc2cc(C)c3ncc(Br)cc3n2)cc1
InChIInChI=1S/C17H16BrN3O/c1-11-7-16(21-15-8-13(18)10-20-17(11)15)19-9-12-3-5-14(22-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyZSCFYVBWIJILNG-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(4-methoxyphenyl)methylamino]-8-methyl-1,5-naphthyridine-3-carboxylate
CID 166460491
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
N-[(4-methoxyphenyl)methyl]-4-methyl-6-methylsulfanylquinolin-2-amine
CID 31196612
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
4-[(6-bromo-3-pyridinyl)oxy]-6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 139337003
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine?
The IUPAC name of 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine (CID 166460553) is 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine is COc1ccc(CNc2cc(C)c3ncc(Br)cc3n2)cc1.
What is the InChIKey of 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine?
The InChIKey is ZSCFYVBWIJILNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O/c1-11-7-16(21-15-8-13(18)10-20-17(11)15)19-9-12-3-5-14(22-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine?
7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine has a molecular weight of 358.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4-methoxyphenyl)methyl]-4-methyl-1,5-naphthyridin-2-amine is sourced from PubChem (CID 166460553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).