5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine

C15H18N4O — CID 89491923

IUPAC5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine
SMILESCOc1cncc(-c2cnc(N3CC(C)C3)cc2N)c1
InChIInChI=1S/C15H18N4O/c1-10-8-19(9-10)15-4-14(16)13(7-18-15)11-3-12(20-2)6-17-5-11/h3-7,10H,8-9H2,1-2H3,(H2,16,18)
InChIKeyUZZCEAWFDSKDDH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.19
Rot. Bonds3

About 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine

5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine (PubChem CID 89491923) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine
PubChem CID89491923
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine
SMILESCOc1cncc(-c2cnc(N3CC(C)C3)cc2N)c1
InChIInChI=1S/C15H18N4O/c1-10-8-19(9-10)15-4-14(16)13(7-18-15)11-3-12(20-2)6-17-5-11/h3-7,10H,8-9H2,1-2H3,(H2,16,18)
InChIKeyUZZCEAWFDSKDDH-UHFFFAOYSA-N
XLogP2.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine (CID 89491923) is 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine is COc1cncc(-c2cnc(N3CC(C)C3)cc2N)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine?
The InChIKey is UZZCEAWFDSKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-8-19(9-10)15-4-14(16)13(7-18-15)11-3-12(20-2)6-17-5-11/h3-7,10H,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine?
5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine has a molecular weight of 270.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-2-(3-methylazetidin-1-yl)pyridin-4-amine is sourced from PubChem (CID 89491923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).