5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine

C24H28N4O — CID 118392559

IUPAC5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
SMILESCC(C)Oc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C24H28N4O/c1-17(2)29-22-5-3-4-19(14-22)23-15-20(16-27-24(23)25)18-6-8-21(9-7-18)28-12-10-26-11-13-28/h3-9,14-17,26H,10-13H2,1-2H3,(H2,25,27)
InChIKeyRKDQGZMGXVSYJY-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.19
Rot. Bonds5

About 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine

5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine (PubChem CID 118392559) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
PubChem CID118392559
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
SMILESCC(C)Oc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C24H28N4O/c1-17(2)29-22-5-3-4-19(14-22)23-15-20(16-27-24(23)25)18-6-8-21(9-7-18)28-12-10-26-11-13-28/h3-9,14-17,26H,10-13H2,1-2H3,(H2,25,27)
InChIKeyRKDQGZMGXVSYJY-UHFFFAOYSA-N
XLogP4.19
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine?
The IUPAC name of 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine (CID 118392559) is 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine is CC(C)Oc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine?
The InChIKey is RKDQGZMGXVSYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)29-22-5-3-4-19(14-22)23-15-20(16-27-24(23)25)18-6-8-21(9-7-18)28-12-10-26-11-13-28/h3-9,14-17,26H,10-13H2,1-2H3,(H2,25,27).
What are the key properties of 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine?
5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine has a molecular weight of 388.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine is sourced from PubChem (CID 118392559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).