4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide

C24H26N4O2 — CID 10250531

IUPAC4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H26N4O2/c1-27-13-15-28(16-14-27)22-17-20(5-8-23(22)30-2)24(29)26-21-6-3-18(4-7-21)19-9-11-25-12-10-19/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyNECBFUUHCUJAGU-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.76
Rot. Bonds5

About 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide

4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide (PubChem CID 10250531) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
PubChem CID10250531
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H26N4O2/c1-27-13-15-28(16-14-27)22-17-20(5-8-23(22)30-2)24(29)26-21-6-3-18(4-7-21)19-9-11-25-12-10-19/h3-12,17H,13-16H2,1-2H3,(H,26,29)
InChIKeyNECBFUUHCUJAGU-UHFFFAOYSA-N
XLogP3.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide?
The IUPAC name of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide (CID 10250531) is 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide?
The canonical SMILES for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide?
The InChIKey is NECBFUUHCUJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-13-15-28(16-14-27)22-17-20(5-8-23(22)30-2)24(29)26-21-6-3-18(4-7-21)19-9-11-25-12-10-19/h3-12,17H,13-16H2,1-2H3,(H,26,29).
What are the key properties of 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide?
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide is sourced from PubChem (CID 10250531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).