N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide

C25H27N5O2 — CID 55959883

IUPACN-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C25H27N5O2/c1-29(25(32)18-30-23-14-8-7-13-21(23)26-17-24(30)31)15-9-3-6-12-20-16-22(28-27-20)19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18H2,1H3,(H,27,28)
InChIKeyXAWNYZDXNIAYRZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.66
Rot. Bonds9

About N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide

N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide (PubChem CID 55959883) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
PubChem CID55959883
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C25H27N5O2/c1-29(25(32)18-30-23-14-8-7-13-21(23)26-17-24(30)31)15-9-3-6-12-20-16-22(28-27-20)19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18H2,1H3,(H,27,28)
InChIKeyXAWNYZDXNIAYRZ-UHFFFAOYSA-N
XLogP3.66
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide (CID 55959883) is N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
The InChIKey is XAWNYZDXNIAYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-29(25(32)18-30-23-14-8-7-13-21(23)26-17-24(30)31)15-9-3-6-12-20-16-22(28-27-20)19-10-4-2-5-11-19/h2,4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18H2,1H3,(H,27,28).
What are the key properties of N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide?
N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxoquinoxalin-1-yl)-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide is sourced from PubChem (CID 55959883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).