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

C25H30N4O3 — CID 118716167

IUPACN-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCNc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H30N4O3/c1-26-25-21(18-14-22(30-2)24(32-4)23(15-18)31-3)13-19(16-28-25)17-5-7-20(8-6-17)29-11-9-27-10-12-29/h5-8,13-16,27H,9-12H2,1-4H3,(H,26,28)
InChIKeyPHVIDGNOESEQKP-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.89
Rot. Bonds7

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

N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 118716167) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID118716167
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCNc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H30N4O3/c1-26-25-21(18-14-22(30-2)24(32-4)23(15-18)31-3)13-19(16-28-25)17-5-7-20(8-6-17)29-11-9-27-10-12-29/h5-8,13-16,27H,9-12H2,1-4H3,(H,26,28)
InChIKeyPHVIDGNOESEQKP-UHFFFAOYSA-N
XLogP3.89
TPSA67.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 118716167) is N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is CNc1ncc(-c2ccc(N3CCNCC3)cc2)cc1-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is PHVIDGNOESEQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-26-25-21(18-14-22(30-2)24(32-4)23(15-18)31-3)13-19(16-28-25)17-5-7-20(8-6-17)29-11-9-27-10-12-29/h5-8,13-16,27H,9-12H2,1-4H3,(H,26,28).
What are the key properties of N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 434.54 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 118716167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).