5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine

C28H27ClN6 — CID 118721517

IUPAC5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1
InChIInChI=1S/C28H27ClN6/c1-34(2)16-6-15-31-24-18-28-26(17-25(24)32-21-7-5-14-30-19-21)33-23-8-3-4-9-27(23)35(28)22-12-10-20(29)11-13-22/h3-5,7-14,17-19,32H,6,15-16H2,1-2H3/b31-24+
InChIKeyCOMPQROOZQLDHI-QFMPWRQOSA-N
MW483.02 g/mol
LogP5.77
Rot. Bonds7

About 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine (PubChem CID 118721517) has the molecular formula C28H27ClN6 and a molecular weight of 483.02 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
PubChem CID118721517
Molecular FormulaC28H27ClN6
Molecular Weight483.02 g/mol
Exact Mass482.20
IUPAC Name5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1
InChIInChI=1S/C28H27ClN6/c1-34(2)16-6-15-31-24-18-28-26(17-25(24)32-21-7-5-14-30-19-21)33-23-8-3-4-9-27(23)35(28)22-12-10-20(29)11-13-22/h3-5,7-14,17-19,32H,6,15-16H2,1-2H3/b31-24+
InChIKeyCOMPQROOZQLDHI-QFMPWRQOSA-N
XLogP5.77
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.02
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine (CID 118721517) is 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine is CN(C)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is COMPQROOZQLDHI-QFMPWRQOSA-N. The full InChI is InChI=1S/C28H27ClN6/c1-34(2)16-6-15-31-24-18-28-26(17-25(24)32-21-7-5-14-30-19-21)33-23-8-3-4-9-27(23)35(28)22-12-10-20(29)11-13-22/h3-5,7-14,17-19,32H,6,15-16H2,1-2H3/b31-24+.
What are the key properties of 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 483.02 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 118721517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).