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

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

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Related Compounds

Tamatinib
CID 11213558
4-[(5,6-Dimethyl-2,2'-Bipyridin-3-Yl)oxy]-N-(3,4,5-Trimethoxyphenyl)pyridin-2-Amine
CID 44201376
4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
4-(6-Methyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3,4,5-trimethoxy-phenyl)pyridin-2-amine
CID 44521014
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521015
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
6-(quinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879208
6-(isoquinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879209

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).