2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

C20H25N5O — CID 659807

IUPAC2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H25N5O/c1-2-3-6-11-22-20(26)15(14-21)18-19(25-12-7-8-13-25)24-17-10-5-4-9-16(17)23-18/h4-5,9-10,15H,2-3,6-8,11-13H2,1H3,(H,22,26)
InChIKeyWITMKAFPMXVFNQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.14
Rot. Bonds7

About 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (PubChem CID 659807) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
PubChem CID659807
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C20H25N5O/c1-2-3-6-11-22-20(26)15(14-21)18-19(25-12-7-8-13-25)24-17-10-5-4-9-16(17)23-18/h4-5,9-10,15H,2-3,6-8,11-13H2,1H3,(H,22,26)
InChIKeyWITMKAFPMXVFNQ-UHFFFAOYSA-N
XLogP3.14
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.14
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 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (CID 659807) is 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The InChIKey is WITMKAFPMXVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-3-6-11-22-20(26)15(14-21)18-19(25-12-7-8-13-25)24-17-10-5-4-9-16(17)23-18/h4-5,9-10,15H,2-3,6-8,11-13H2,1H3,(H,22,26).
What are the key properties of 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-pentyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 659807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).