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

C22H23ClN4O — CID 118392562

IUPAC3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1Cl
InChIInChI=1S/C22H23ClN4O/c1-28-21-13-16(4-7-20(21)23)19-12-17(14-26-22(19)24)15-2-5-18(6-3-15)27-10-8-25-9-11-27/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26)
InChIKeyHTNAMLRIFFJKLH-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.07
Rot. Bonds4

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

3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118392562) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID118392562
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1Cl
InChIInChI=1S/C22H23ClN4O/c1-28-21-13-16(4-7-20(21)23)19-12-17(14-26-22(19)24)15-2-5-18(6-3-15)27-10-8-25-9-11-27/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26)
InChIKeyHTNAMLRIFFJKLH-UHFFFAOYSA-N
XLogP4.07
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118392562) is 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is HTNAMLRIFFJKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-28-21-13-16(4-7-20(21)23)19-12-17(14-26-22(19)24)15-2-5-18(6-3-15)27-10-8-25-9-11-27/h2-7,12-14,25H,8-11H2,1H3,(H2,24,26).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 394.91 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118392562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).