4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

C19H19N3O4 — CID 44521016

IUPAC4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)22-18-11-14(6-8-21-18)26-15-5-4-7-20-12-15/h4-12H,1-3H3,(H,21,22)
InChIKeyRJOVWAKDUXCTGH-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.04
Rot. Bonds7

About 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 44521016) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID44521016
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)22-18-11-14(6-8-21-18)26-15-5-4-7-20-12-15/h4-12H,1-3H3,(H,21,22)
InChIKeyRJOVWAKDUXCTGH-UHFFFAOYSA-N
XLogP4.04
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 44521016) is 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC.
What is the InChIKey of 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is RJOVWAKDUXCTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)22-18-11-14(6-8-21-18)26-15-5-4-7-20-12-15/h4-12H,1-3H3,(H,21,22).
What are the key properties of 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 353.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 44521016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).