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

C20H21N3O4 — CID 44521018

IUPAC4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-16(6-5-8-21-13)27-15-7-9-22-19(12-15)23-14-10-17(24-2)20(26-4)18(11-14)25-3/h5-12H,1-4H3,(H,22,23)
InChIKeyPBSZPICVYFKXCZ-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.35
Rot. Bonds7

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

4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 44521018) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID44521018
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-16(6-5-8-21-13)27-15-7-9-22-19(12-15)23-14-10-17(24-2)20(26-4)18(11-14)25-3/h5-12H,1-4H3,(H,22,23)
InChIKeyPBSZPICVYFKXCZ-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-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 44521018) is 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is PBSZPICVYFKXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-16(6-5-8-21-13)27-15-7-9-22-19(12-15)23-14-10-17(24-2)20(26-4)18(11-14)25-3/h5-12H,1-4H3,(H,22,23).
What are the key properties of 4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
4-[(2-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-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 44521018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).