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

C24H28N4O3 — CID 91933902

IUPAC5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-4-6-19(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3,(H2,25,27)
InChIKeySJOCBUINMBQCTH-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.43
Rot. Bonds6

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

5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 91933902) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID91933902
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-4-6-19(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3,(H2,25,27)
InChIKeySJOCBUINMBQCTH-UHFFFAOYSA-N
XLogP3.43
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine with MolForge

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Related Compounds

K02288
CID 46173038
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
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
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-2,3-dimethoxyphenyl)propane-1-sulfonamide
CID 134817211
N6-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479412
4-Methyl-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
CID 146037627
4-Methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 146672975
N6-[(2,3,4-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479410
2,4-Diamino-5-[3,5-dimethoxy-4-[p-aminophenoxy]benzyl]pyrimidine
CID 632637

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 91933902) is 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC.
What is the InChIKey of 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is SJOCBUINMBQCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-29-21-13-17(14-22(30-2)23(21)31-3)20-12-18(15-27-24(20)25)16-4-6-19(7-5-16)28-10-8-26-9-11-28/h4-7,12-15,26H,8-11H2,1-3H3,(H2,25,27).
What are the key properties of 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 420.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 91933902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).