N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide

C27H19N5O2 — CID 1329252

IUPACN-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1
InChIInChI=1S/C27H19N5O2/c1-17(33)18-8-11-20(12-9-18)30-27(34)19-10-13-21-24(16-19)32-26(23-7-3-5-15-29-23)25(31-21)22-6-2-4-14-28-22/h2-16H,1H3,(H,30,34)
InChIKeyLAUOGLJQZHWFDA-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.21
Rot. Bonds5

About N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide

N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide (PubChem CID 1329252) has the molecular formula C27H19N5O2 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide
PubChem CID1329252
Molecular FormulaC27H19N5O2
Molecular Weight445.48 g/mol
Exact Mass445.15
IUPAC NameN-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1
InChIInChI=1S/C27H19N5O2/c1-17(33)18-8-11-20(12-9-18)30-27(34)19-10-13-21-24(16-19)32-26(23-7-3-5-15-29-23)25(31-21)22-6-2-4-14-28-22/h2-16H,1H3,(H,30,34)
InChIKeyLAUOGLJQZHWFDA-UHFFFAOYSA-N
XLogP5.21
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide (CID 1329252) is N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
The InChIKey is LAUOGLJQZHWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2/c1-17(33)18-8-11-20(12-9-18)30-27(34)19-10-13-21-24(16-19)32-26(23-7-3-5-15-29-23)25(31-21)22-6-2-4-14-28-22/h2-16H,1H3,(H,30,34).
What are the key properties of N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide?
N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,3-dipyridin-2-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 1329252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).