5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine

C29H29ClN6 — CID 164620749

IUPAC5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCCN(CC)CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1
InChIInChI=1S/C29H29ClN6/c1-3-35(4-2)17-16-32-25-19-29-27(18-26(25)33-22-8-7-15-31-20-22)34-24-9-5-6-10-28(24)36(29)23-13-11-21(30)12-14-23/h5-15,18-20,33H,3-4,16-17H2,1-2H3/b32-25+
InChIKeyJOAVAPFDKKAICC-WGPBWIAQSA-N
MW497.05 g/mol
LogP6.16
Rot. Bonds8

About 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine (PubChem CID 164620749) has the molecular formula C29H29ClN6 and a molecular weight of 497.05 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine
PubChem CID164620749
Molecular FormulaC29H29ClN6
Molecular Weight497.05 g/mol
Exact Mass496.21
IUPAC Name5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCCN(CC)CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1
InChIInChI=1S/C29H29ClN6/c1-3-35(4-2)17-16-32-25-19-29-27(18-26(25)33-22-8-7-15-31-20-22)34-24-9-5-6-10-28(24)36(29)23-13-11-21(30)12-14-23/h5-15,18-20,33H,3-4,16-17H2,1-2H3/b32-25+
InChIKeyJOAVAPFDKKAICC-WGPBWIAQSA-N
XLogP6.16
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.05
LogP ≤ 56.16
H-Bond Donors ≤ 51
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 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine (CID 164620749) is 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine is CCN(CC)CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is JOAVAPFDKKAICC-WGPBWIAQSA-N. The full InChI is InChI=1S/C29H29ClN6/c1-3-35(4-2)17-16-32-25-19-29-27(18-26(25)33-22-8-7-15-31-20-22)34-24-9-5-6-10-28(24)36(29)23-13-11-21(30)12-14-23/h5-15,18-20,33H,3-4,16-17H2,1-2H3/b32-25+.
What are the key properties of 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 497.05 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[2-(diethylamino)ethylimino]-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 164620749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).