3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

C23H24N4O2 — CID 118716166

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
InChIKeyVSJMBQDPKOGFLY-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.18
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 118716166) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID118716166
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
InChIKeyVSJMBQDPKOGFLY-UHFFFAOYSA-N
XLogP3.18
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-{4-[5-(3,4,5-Trimethoxyphenyl)pyridin-3-Yl]phenyl}piperazine
CID 71299325
1-[4-[4-Methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
CID 134691232
8-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-8-(3-(2-fluoropyridin-3-yl)phenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 44478390
1-[7-(3,4-Dimethoxyphenyl)-1,5-naphthyridin-2-yl]-3-ethylurea
CID 53239374
1-Tert-butyl-3-[7-(3,4-dimethoxyphenyl)-1,5-naphthyridin-2-yl]urea
CID 53239375
5-(4-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 91933902
5-(3-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 118392555
5-(4-Piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
CID 118392559
3-(3,4-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392566
3-(3-Methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392567
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
3-(3,5-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118716165

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 118716166) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is Nc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is VSJMBQDPKOGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 388.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 118716166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).