1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine

C13H15N3O — CID 167816225

IUPAC1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(-c2cccnc2OC)c1
InChIInChI=1S/C13H15N3O/c1-14-7-10-6-11(9-15-8-10)12-4-3-5-16-13(12)17-2/h3-6,8-9,14H,7H2,1-2H3
InChIKeyZHIPIENWGILFBH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds4

About 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine

1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 167816225) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID167816225
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(-c2cccnc2OC)c1
InChIInChI=1S/C13H15N3O/c1-14-7-10-6-11(9-15-8-10)12-4-3-5-16-13(12)17-2/h3-6,8-9,14H,7H2,1-2H3
InChIKeyZHIPIENWGILFBH-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine (CID 167816225) is 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine is CNCc1cncc(-c2cccnc2OC)c1.
What is the InChIKey of 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ZHIPIENWGILFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-7-10-6-11(9-15-8-10)12-4-3-5-16-13(12)17-2/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine?
1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 167816225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).