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

C23H26N4O2 — CID 118392566

IUPAC3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1OC
InChIInChI=1S/C23H26N4O2/c1-28-21-8-5-17(14-22(21)29-2)20-13-18(15-26-23(20)24)16-3-6-19(7-4-16)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)
InChIKeyYDGAIFLOOACQIQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.42
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118392566) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID118392566
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1OC
InChIInChI=1S/C23H26N4O2/c1-28-21-8-5-17(14-22(21)29-2)20-13-18(15-26-23(20)24)16-3-6-19(7-4-16)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)
InChIKeyYDGAIFLOOACQIQ-UHFFFAOYSA-N
XLogP3.42
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118392566) is 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is YDGAIFLOOACQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-21-8-5-17(14-22(21)29-2)20-13-18(15-26-23(20)24)16-3-6-19(7-4-16)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118392566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).