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

C30H31ClN6 — CID 164622369

IUPAC5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCCN(CC)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1
InChIInChI=1S/C30H31ClN6/c1-3-36(4-2)18-8-17-33-26-20-30-28(19-27(26)34-23-9-7-16-32-21-23)35-25-10-5-6-11-29(25)37(30)24-14-12-22(31)13-15-24/h5-7,9-16,19-21,34H,3-4,8,17-18H2,1-2H3/b33-26+
InChIKeyMVTYZUGYYMVUFZ-MHTZHOPKSA-N
MW511.07 g/mol
LogP6.55
Rot. Bonds9

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

5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine (PubChem CID 164622369) has the molecular formula C30H31ClN6 and a molecular weight of 511.07 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
PubChem CID164622369
Molecular FormulaC30H31ClN6
Molecular Weight511.07 g/mol
Exact Mass510.23
IUPAC Name5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCCN(CC)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1
InChIInChI=1S/C30H31ClN6/c1-3-36(4-2)18-8-17-33-26-20-30-28(19-27(26)34-23-9-7-16-32-21-23)35-25-10-5-6-11-29(25)37(30)24-14-12-22(31)13-15-24/h5-7,9-16,19-21,34H,3-4,8,17-18H2,1-2H3/b33-26+
InChIKeyMVTYZUGYYMVUFZ-MHTZHOPKSA-N
XLogP6.55
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.07
LogP ≤ 56.55
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-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine (CID 164622369) is 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine is CCN(CC)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1cccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is MVTYZUGYYMVUFZ-MHTZHOPKSA-N. The full InChI is InChI=1S/C30H31ClN6/c1-3-36(4-2)18-8-17-33-26-20-30-28(19-27(26)34-23-9-7-16-32-21-23)35-25-10-5-6-11-29(25)37(30)24-14-12-22(31)13-15-24/h5-7,9-16,19-21,34H,3-4,8,17-18H2,1-2H3/b33-26+.
What are the key properties of 5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-[3-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 511.07 g/mol, XLogP of 6.55, 9 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-(diethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 164622369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).