3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

C23H26N4O — CID 118392567

IUPAC3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1C
InChIInChI=1S/C23H26N4O/c1-16-3-4-18(14-22(16)28-2)21-13-19(15-26-23(21)24)17-5-7-20(8-6-17)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)
InChIKeyHXLKCKQQCOPUIT-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.72
Rot. Bonds4

About 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118392567) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID118392567
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1C
InChIInChI=1S/C23H26N4O/c1-16-3-4-18(14-22(16)28-2)21-13-19(15-26-23(21)24)17-5-7-20(8-6-17)27-11-9-25-10-12-27/h3-8,13-15,25H,9-12H2,1-2H3,(H2,24,26)
InChIKeyHXLKCKQQCOPUIT-UHFFFAOYSA-N
XLogP3.72
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118392567) is 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1C.
What is the InChIKey of 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is HXLKCKQQCOPUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-3-4-18(14-22(16)28-2)21-13-19(15-26-23(21)24)17-5-7-20(8-6-17)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-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118392567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).