5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine

C23H24N2O2 — CID 121339459

IUPAC5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
SMILESCOc1ccc(-c2cnc(Oc3cccc4c3CCCC4)c(N)c2C)cc1
InChIInChI=1S/C23H24N2O2/c1-15-20(17-10-12-18(26-2)13-11-17)14-25-23(22(15)24)27-21-9-5-7-16-6-3-4-8-19(16)21/h5,7,9-14H,3-4,6,8,24H2,1-2H3
InChIKeyCHOVFGUXXPERLG-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.32
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine

5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine (PubChem CID 121339459) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
PubChem CID121339459
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine
SMILESCOc1ccc(-c2cnc(Oc3cccc4c3CCCC4)c(N)c2C)cc1
InChIInChI=1S/C23H24N2O2/c1-15-20(17-10-12-18(26-2)13-11-17)14-25-23(22(15)24)27-21-9-5-7-16-6-3-4-8-19(16)21/h5,7,9-14H,3-4,6,8,24H2,1-2H3
InChIKeyCHOVFGUXXPERLG-UHFFFAOYSA-N
XLogP5.32
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine (CID 121339459) is 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine is COc1ccc(-c2cnc(Oc3cccc4c3CCCC4)c(N)c2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
The InChIKey is CHOVFGUXXPERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15-20(17-10-12-18(26-2)13-11-17)14-25-23(22(15)24)27-21-9-5-7-16-6-3-4-8-19(16)21/h5,7,9-14H,3-4,6,8,24H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine?
5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine has a molecular weight of 360.46 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridin-3-amine is sourced from PubChem (CID 121339459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).