phenazine-1-carboxamide

C26H18N6O2 — CID 141278918

IUPACphenazine-1-carboxamide
SMILESNC(=O)c1cccc2nc3ccccc3nc12.NC(=O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/2C13H9N3O/c2*14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11/h2*1-7H,(H2,14,17)
InChIKeyMDOCUZYOMSFVKX-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.76
Rot. Bonds2

About phenazine-1-carboxamide

phenazine-1-carboxamide (PubChem CID 141278918) has the molecular formula C26H18N6O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is phenazine-1-carboxamide.

Molecular Properties

Compound Namephenazine-1-carboxamide
PubChem CID141278918
Molecular FormulaC26H18N6O2
Molecular Weight446.47 g/mol
Exact Mass446.15
IUPAC Namephenazine-1-carboxamide
SMILESNC(=O)c1cccc2nc3ccccc3nc12.NC(=O)c1cccc2nc3ccccc3nc12
InChIInChI=1S/2C13H9N3O/c2*14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11/h2*1-7H,(H2,14,17)
InChIKeyMDOCUZYOMSFVKX-UHFFFAOYSA-N
XLogP3.76
TPSA137.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenazine-1-carboxamide?
The IUPAC name of phenazine-1-carboxamide (CID 141278918) is phenazine-1-carboxamide.
What is the SMILES notation for phenazine-1-carboxamide?
The canonical SMILES for phenazine-1-carboxamide is NC(=O)c1cccc2nc3ccccc3nc12.NC(=O)c1cccc2nc3ccccc3nc12.
What is the InChIKey of phenazine-1-carboxamide?
The InChIKey is MDOCUZYOMSFVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N3O/c2*14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11/h2*1-7H,(H2,14,17).
What are the key properties of phenazine-1-carboxamide?
phenazine-1-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-1-carboxamide is sourced from PubChem (CID 141278918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).