3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine

C18H19N3O2 — CID 135181380

IUPAC3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(C)c(-c2cc3cnc(C)cc3c(N)n2)c1
InChIInChI=1S/C18H19N3O2/c1-10-5-15-12(9-20-10)6-16(21-18(15)19)14-7-13(22-3)8-17(23-4)11(14)2/h5-9H,1-4H3,(H2,19,21)
InChIKeyNZVIKQUTOSDLGU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.51
Rot. Bonds3

About 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine

3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine (PubChem CID 135181380) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine
PubChem CID135181380
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(C)c(-c2cc3cnc(C)cc3c(N)n2)c1
InChIInChI=1S/C18H19N3O2/c1-10-5-15-12(9-20-10)6-16(21-18(15)19)14-7-13(22-3)8-17(23-4)11(14)2/h5-9H,1-4H3,(H2,19,21)
InChIKeyNZVIKQUTOSDLGU-UHFFFAOYSA-N
XLogP3.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The IUPAC name of 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine (CID 135181380) is 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine.
What is the SMILES notation for 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The canonical SMILES for 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine is COc1cc(OC)c(C)c(-c2cc3cnc(C)cc3c(N)n2)c1.
What is the InChIKey of 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The InChIKey is NZVIKQUTOSDLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-10-5-15-12(9-20-10)6-16(21-18(15)19)14-7-13(22-3)8-17(23-4)11(14)2/h5-9H,1-4H3,(H2,19,21).
What are the key properties of 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine?
3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxy-2-methylphenyl)-7-methyl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 135181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).