5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine

C24H28N4O3 — CID 118392555

IUPAC5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-5-4-6-19(11-16)28-9-7-26-8-10-28/h4-6,11-15,26H,7-10H2,1-3H3,(H2,25,27)
InChIKeyCGAOZJWPBAWCGJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.43
Rot. Bonds6

About 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine

5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 118392555) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID118392555
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-5-4-6-19(11-16)28-9-7-26-8-10-28/h4-6,11-15,26H,7-10H2,1-3H3,(H2,25,27)
InChIKeyCGAOZJWPBAWCGJ-UHFFFAOYSA-N
XLogP3.43
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 118392555) is 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)cnc2N)cc(OC)c1OC.
What is the InChIKey of 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is CGAOZJWPBAWCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-5-4-6-19(11-16)28-9-7-26-8-10-28/h4-6,11-15,26H,7-10H2,1-3H3,(H2,25,27).
What are the key properties of 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 420.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 118392555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).