4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol

C18H17N3O3 — CID 44525559

IUPAC4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1ccc(-c2cnc(N)c(-c3ccc(O)c(OC)c3)c2)cn1
InChIInChI=1S/C18H17N3O3/c1-23-16-8-11(3-5-15(16)22)14-7-13(10-21-18(14)19)12-4-6-17(24-2)20-9-12/h3-10,22H,1-2H3,(H2,19,21)
InChIKeyXOBFJLXKNALFLR-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.12
Rot. Bonds4

About 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol

4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol (PubChem CID 44525559) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol
PubChem CID44525559
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1ccc(-c2cnc(N)c(-c3ccc(O)c(OC)c3)c2)cn1
InChIInChI=1S/C18H17N3O3/c1-23-16-8-11(3-5-15(16)22)14-7-13(10-21-18(14)19)12-4-6-17(24-2)20-9-12/h3-10,22H,1-2H3,(H2,19,21)
InChIKeyXOBFJLXKNALFLR-UHFFFAOYSA-N
XLogP3.12
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol (CID 44525559) is 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol is COc1ccc(-c2cnc(N)c(-c3ccc(O)c(OC)c3)c2)cn1.
What is the InChIKey of 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol?
The InChIKey is XOBFJLXKNALFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-16-8-11(3-5-15(16)22)14-7-13(10-21-18(14)19)12-4-6-17(24-2)20-9-12/h3-10,22H,1-2H3,(H2,19,21).
What are the key properties of 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol?
4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol has a molecular weight of 323.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 44525559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).