3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine

C16H15N3O2 — CID 23467736

IUPAC3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine
SMILESCOc1cccc(-c2cc3cnccc3c(N)n2)c1OC
InChIInChI=1S/C16H15N3O2/c1-20-14-5-3-4-12(15(14)21-2)13-8-10-9-18-7-6-11(10)16(17)19-13/h3-9H,1-2H3,(H2,17,19)
InChIKeyXFEKCXZHZWSMMP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.90
Rot. Bonds3

About 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine

3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine (PubChem CID 23467736) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine
PubChem CID23467736
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine
SMILESCOc1cccc(-c2cc3cnccc3c(N)n2)c1OC
InChIInChI=1S/C16H15N3O2/c1-20-14-5-3-4-12(15(14)21-2)13-8-10-9-18-7-6-11(10)16(17)19-13/h3-9H,1-2H3,(H2,17,19)
InChIKeyXFEKCXZHZWSMMP-UHFFFAOYSA-N
XLogP2.90
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine (CID 23467736) is 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine is COc1cccc(-c2cc3cnccc3c(N)n2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
The InChIKey is XFEKCXZHZWSMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-5-3-4-12(15(14)21-2)13-8-10-9-18-7-6-11(10)16(17)19-13/h3-9H,1-2H3,(H2,17,19).
What are the key properties of 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine has a molecular weight of 281.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 23467736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).