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

C21H23N3O4 — CID 44521015

IUPAC4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-13-6-7-17(14(2)23-13)28-16-8-9-22-20(12-16)24-15-10-18(25-3)21(27-5)19(11-15)26-4/h6-12H,1-5H3,(H,22,24)
InChIKeyZHZJGNQEDNIJJP-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.66
Rot. Bonds7

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

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 44521015) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID44521015
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-13-6-7-17(14(2)23-13)28-16-8-9-22-20(12-16)24-15-10-18(25-3)21(27-5)19(11-15)26-4/h6-12H,1-5H3,(H,22,24)
InChIKeyZHZJGNQEDNIJJP-UHFFFAOYSA-N
XLogP4.66
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 44521015) is 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is ZHZJGNQEDNIJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13-6-7-17(14(2)23-13)28-16-8-9-22-20(12-16)24-15-10-18(25-3)21(27-5)19(11-15)26-4/h6-12H,1-5H3,(H,22,24).
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 381.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 44521015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).