N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide

C21H15N5O2 — CID 141055631

IUPACN-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide
SMILESO=CN(C(=O)Nc1cccc(-c2ccccn2)c1)c1ccc2nccnc2c1
InChIInChI=1S/C21H15N5O2/c27-14-26(17-7-8-19-20(13-17)24-11-10-23-19)21(28)25-16-5-3-4-15(12-16)18-6-1-2-9-22-18/h1-14H,(H,25,28)
InChIKeyUXOLNTWAONXRHP-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.89
Rot. Bonds4

About N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide

N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide (PubChem CID 141055631) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide
PubChem CID141055631
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC NameN-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide
SMILESO=CN(C(=O)Nc1cccc(-c2ccccn2)c1)c1ccc2nccnc2c1
InChIInChI=1S/C21H15N5O2/c27-14-26(17-7-8-19-20(13-17)24-11-10-23-19)21(28)25-16-5-3-4-15(12-16)18-6-1-2-9-22-18/h1-14H,(H,25,28)
InChIKeyUXOLNTWAONXRHP-UHFFFAOYSA-N
XLogP3.89
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide?
The IUPAC name of N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide (CID 141055631) is N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide.
What is the SMILES notation for N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide?
The canonical SMILES for N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide is O=CN(C(=O)Nc1cccc(-c2ccccn2)c1)c1ccc2nccnc2c1.
What is the InChIKey of N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide?
The InChIKey is UXOLNTWAONXRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-14-26(17-7-8-19-20(13-17)24-11-10-23-19)21(28)25-16-5-3-4-15(12-16)18-6-1-2-9-22-18/h1-14H,(H,25,28).
What are the key properties of N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide?
N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide has a molecular weight of 369.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-ylphenyl)carbamoyl]-N-quinoxalin-6-ylformamide is sourced from PubChem (CID 141055631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).