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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Related Compounds

CID 4680
CID 4680
CID 19009
CID 19009
CID 73442
CID 73442
CID 16212317
CID 16212317
CID 10061448
CID 10061448
CID 10445611
CID 10445611
CID 17754723
CID 17754723
CID 17754761
CID 17754761
CID 25060408
CID 25060408
CID 44236913
CID 44236913
CID 44236921
CID 44236921
CID 44236922
CID 44236922

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).