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

C23H26N4O2 — CID 118716165

IUPAC3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C23H26N4O2/c1-28-20-11-17(12-21(14-20)29-2)22-13-18(15-26-23(22)24)16-3-5-19(6-4-16)27-9-7-25-8-10-27/h3-6,11-15,25H,7-10H2,1-2H3,(H2,24,26)
InChIKeyZRCZZPPDWCVIOL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.42
Rot. Bonds5

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

3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118716165) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID118716165
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C23H26N4O2/c1-28-20-11-17(12-21(14-20)29-2)22-13-18(15-26-23(22)24)16-3-5-19(6-4-16)27-9-7-25-8-10-27/h3-6,11-15,25H,7-10H2,1-2H3,(H2,24,26)
InChIKeyZRCZZPPDWCVIOL-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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Related Compounds

1,6-Naphthyridine 20
CID 5330130
1,6-Naphthyridine 23
CID 5330133
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
1,6-Naphthyridine 17
CID 5330127
7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
CID 5330131
1-{4-[5-(3,4,5-Trimethoxyphenyl)pyridin-3-Yl]phenyl}piperazine
CID 71299325
Ldn-214117
CID 91754554
1-[4-[4-Methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
CID 134691232
Ripk2-IN-1
CID 135348339
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
3-(3,5-Dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
CID 5328996
1-[7-Amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea
CID 5328997

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118716165) is 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is ZRCZZPPDWCVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-20-11-17(12-21(14-20)29-2)22-13-18(15-26-23(22)24)16-3-5-19(6-4-16)27-9-7-25-8-10-27/h3-6,11-15,25H,7-10H2,1-2H3,(H2,24,26).
What are the key properties of 3-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(3,5-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-(3,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118716165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).