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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Related Compounds

1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
1-[4-(Aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
CID 45263291
1-{4-[5-(3,4,5-Trimethoxyphenyl)pyridin-3-Yl]phenyl}piperazine
CID 71299325
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 133053558
1-[4-[4-Methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
CID 134691232
Ripk2-IN-1
CID 135348339
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine
CID 10248163
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
1-(2-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl)-4-(pyridine-2-yl)piperazine
CID 10948133

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).