N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide

C20H15N4O2+ — CID 3752733

IUPACN-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide
SMILESO=CNc1ccc2nc3ccc(NC=O)cc3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C20H14N4O2/c25-12-21-14-6-8-17-19(10-14)24(16-4-2-1-3-5-16)20-11-15(22-13-26)7-9-18(20)23-17/h1-13H,(H,21,22,25,26)/p+1
InChIKeyVSGSMAMJPXOFLI-UHFFFAOYSA-O
MW343.37 g/mol
LogP2.80
Rot. Bonds5

About N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide

N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide (PubChem CID 3752733) has the molecular formula C20H15N4O2+ and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide.

Molecular Properties

Compound NameN-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide
PubChem CID3752733
Molecular FormulaC20H15N4O2+
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC NameN-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide
SMILESO=CNc1ccc2nc3ccc(NC=O)cc3[n+](-c3ccccc3)c2c1
InChIInChI=1S/C20H14N4O2/c25-12-21-14-6-8-17-19(10-14)24(16-4-2-1-3-5-16)20-11-15(22-13-26)7-9-18(20)23-17/h1-13H,(H,21,22,25,26)/p+1
InChIKeyVSGSMAMJPXOFLI-UHFFFAOYSA-O
XLogP2.80
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide?
The IUPAC name of N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide (CID 3752733) is N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide.
What is the SMILES notation for N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide?
The canonical SMILES for N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide is O=CNc1ccc2nc3ccc(NC=O)cc3[n+](-c3ccccc3)c2c1.
What is the InChIKey of N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide?
The InChIKey is VSGSMAMJPXOFLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H14N4O2/c25-12-21-14-6-8-17-19(10-14)24(16-4-2-1-3-5-16)20-11-15(22-13-26)7-9-18(20)23-17/h1-13H,(H,21,22,25,26)/p+1.
What are the key properties of N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide?
N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide has a molecular weight of 343.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-formamido-10-phenylphenazin-10-ium-2-yl)formamide is sourced from PubChem (CID 3752733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).