2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide

C24H26N4O2 — CID 139582022

IUPAC2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide
SMILESCOc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)ccc1C(N)=O
InChIInChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)
InChIKeyGFEAXKZXFORDDU-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.24
Rot. Bonds5

About 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide

2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide (PubChem CID 139582022) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide
PubChem CID139582022
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide
SMILESCOc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)ccc1C(N)=O
InChIInChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)
InChIKeyGFEAXKZXFORDDU-UHFFFAOYSA-N
XLogP3.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide (CID 139582022) is 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide is COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
The InChIKey is GFEAXKZXFORDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29).
What are the key properties of 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide?
2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 139582022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).