N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide

C26H29N5O4 — CID 3240476

IUPACN-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H29N5O4/c1-34-22-17-21(29-26(33)19-8-4-3-5-9-19)23(35-2)16-20(22)28-25(32)18-30-12-14-31(15-13-30)24-10-6-7-11-27-24/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyBIOUSJOPDJBUNQ-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.11
Rot. Bonds8

About N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 3240476) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID3240476
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H29N5O4/c1-34-22-17-21(29-26(33)19-8-4-3-5-9-19)23(35-2)16-20(22)28-25(32)18-30-12-14-31(15-13-30)24-10-6-7-11-27-24/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyBIOUSJOPDJBUNQ-UHFFFAOYSA-N
XLogP3.11
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide (CID 3240476) is N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is BIOUSJOPDJBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-34-22-17-21(29-26(33)19-8-4-3-5-9-19)23(35-2)16-20(22)28-25(32)18-30-12-14-31(15-13-30)24-10-6-7-11-27-24/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 3240476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).