4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine

C24H22N4O2 — CID 44521021

IUPAC4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1
InChIInChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28)
InChIKeyJJXWWXLOMVDRLF-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.70
Rot. Bonds6

About 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine (PubChem CID 44521021) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine
PubChem CID44521021
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1
InChIInChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28)
InChIKeyJJXWWXLOMVDRLF-UHFFFAOYSA-N
XLogP5.70
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine (CID 44521021) is 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine is COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1.
What is the InChIKey of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine?
The InChIKey is JJXWWXLOMVDRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28).
What are the key properties of 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine?
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 44521021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).