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

C20H21N3O4 — CID 44521017

IUPAC4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-5-6-16(12-22-13)27-15-7-8-21-19(11-15)23-14-9-17(24-2)20(26-4)18(10-14)25-3/h5-12H,1-4H3,(H,21,23)
InChIKeyFUUAJSSRXYXCAH-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.35
Rot. Bonds7

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

4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 44521017) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID44521017
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-5-6-16(12-22-13)27-15-7-8-21-19(11-15)23-14-9-17(24-2)20(26-4)18(10-14)25-3/h5-12H,1-4H3,(H,21,23)
InChIKeyFUUAJSSRXYXCAH-UHFFFAOYSA-N
XLogP4.35
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 44521017) is 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is FUUAJSSRXYXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-5-6-16(12-22-13)27-15-7-8-21-19(11-15)23-14-9-17(24-2)20(26-4)18(10-14)25-3/h5-12H,1-4H3,(H,21,23).
What are the key properties of 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 367.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 44521017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).