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

C22H24N4O — CID 118392573

IUPAC3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25)
InChIKeyKJNIOOMNMIFBHV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.42
Rot. Bonds4

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

3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118392573) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID118392573
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25)
InChIKeyKJNIOOMNMIFBHV-UHFFFAOYSA-N
XLogP3.42
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118392573) is 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is KJNIOOMNMIFBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-27-20-4-2-3-17(13-20)21-14-18(15-25-22(21)23)16-5-7-19(8-6-16)26-11-9-24-10-12-26/h2-8,13-15,24H,9-12H2,1H3,(H2,23,25).
What are the key properties of 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118392573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).