N-(4-methoxyphenyl)phenazine-1-carboxamide

C20H15N3O2 — CID 3538434

IUPACN-(4-methoxyphenyl)phenazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1
InChIInChI=1S/C20H15N3O2/c1-25-14-11-9-13(10-12-14)21-20(24)15-5-4-8-18-19(15)23-17-7-3-2-6-16(17)22-18/h2-12H,1H3,(H,21,24)
InChIKeyGBSJVYULTMGCJP-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.04
Rot. Bonds3

About N-(4-methoxyphenyl)phenazine-1-carboxamide

N-(4-methoxyphenyl)phenazine-1-carboxamide (PubChem CID 3538434) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)phenazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)phenazine-1-carboxamide
PubChem CID3538434
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-(4-methoxyphenyl)phenazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1
InChIInChI=1S/C20H15N3O2/c1-25-14-11-9-13(10-12-14)21-20(24)15-5-4-8-18-19(15)23-17-7-3-2-6-16(17)22-18/h2-12H,1H3,(H,21,24)
InChIKeyGBSJVYULTMGCJP-UHFFFAOYSA-N
XLogP4.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(4-methoxyphenyl)phenazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)phenazine-1-carboxamide (CID 3538434) is N-(4-methoxyphenyl)phenazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)phenazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)phenazine-1-carboxamide is COc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)phenazine-1-carboxamide?
The InChIKey is GBSJVYULTMGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-14-11-9-13(10-12-14)21-20(24)15-5-4-8-18-19(15)23-17-7-3-2-6-16(17)22-18/h2-12H,1H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)phenazine-1-carboxamide?
N-(4-methoxyphenyl)phenazine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)phenazine-1-carboxamide is sourced from PubChem (CID 3538434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).