5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide

C24H26N4O2 — CID 51357515

IUPAC5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESCN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3cccnc3)c2)CC1
InChIInChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKeyQGEBKIOJSNPDFE-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.66
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide

5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide (PubChem CID 51357515) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
PubChem CID51357515
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
SMILESCN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3cccnc3)c2)CC1
InChIInChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKeyQGEBKIOJSNPDFE-UHFFFAOYSA-N
XLogP3.66
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide (CID 51357515) is 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide is CN1CCN(c2ccc(OCc3ccccc3)c(C(=O)Nc3cccnc3)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
The InChIKey is QGEBKIOJSNPDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-12-14-28(15-13-27)21-9-10-23(30-18-19-6-3-2-4-7-19)22(16-21)24(29)26-20-8-5-11-25-17-20/h2-11,16-17H,12-15,18H2,1H3,(H,26,29).
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide?
5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 51357515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).