3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine

C16H16N4O2 — CID 5328996

IUPAC3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)cc3nc2N)c1
InChIInChI=1S/C16H16N4O2/c1-21-11-3-9(4-12(6-11)22-2)13-5-10-8-19-15(17)7-14(10)20-16(13)18/h3-8H,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyXXQRJTXNOCEQLF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.48
Rot. Bonds3

About 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine

3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine (PubChem CID 5328996) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
PubChem CID5328996
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)cc3nc2N)c1
InChIInChI=1S/C16H16N4O2/c1-21-11-3-9(4-12(6-11)22-2)13-5-10-8-19-15(17)7-14(10)20-16(13)18/h3-8H,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyXXQRJTXNOCEQLF-UHFFFAOYSA-N
XLogP2.48
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine (CID 5328996) is 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine is COc1cc(OC)cc(-c2cc3cnc(N)cc3nc2N)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
The InChIKey is XXQRJTXNOCEQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-11-3-9(4-12(6-11)22-2)13-5-10-8-19-15(17)7-14(10)20-16(13)18/h3-8H,1-2H3,(H2,17,19)(H2,18,20).
What are the key properties of 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine?
3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine has a molecular weight of 296.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine is sourced from PubChem (CID 5328996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).