N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide

C26H19N5O — CID 1331170

IUPACN-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1
InChIInChI=1S/C26H19N5O/c32-26(29-17-18-8-2-1-3-9-18)19-12-13-20-23(16-19)31-25(22-11-5-7-15-28-22)24(30-20)21-10-4-6-14-27-21/h1-16H,17H2,(H,29,32)
InChIKeyCXWQDQWLYLYUJY-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.68
Rot. Bonds5

About N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide

N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide (PubChem CID 1331170) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide
PubChem CID1331170
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC NameN-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1
InChIInChI=1S/C26H19N5O/c32-26(29-17-18-8-2-1-3-9-18)19-12-13-20-23(16-19)31-25(22-11-5-7-15-28-22)24(30-20)21-10-4-6-14-27-21/h1-16H,17H2,(H,29,32)
InChIKeyCXWQDQWLYLYUJY-UHFFFAOYSA-N
XLogP4.68
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
The IUPAC name of N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide (CID 1331170) is N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide is O=C(NCc1ccccc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1.
What is the InChIKey of N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
The InChIKey is CXWQDQWLYLYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c32-26(29-17-18-8-2-1-3-9-18)19-12-13-20-23(16-19)31-25(22-11-5-7-15-28-22)24(30-20)21-10-4-6-14-27-21/h1-16H,17H2,(H,29,32).
What are the key properties of N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dipyridin-2-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 1331170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).