5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine

C32H33ClN6 — CID 56592452

IUPAC5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
SMILESCC(C)CN1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C32H33ClN6/c1-22(2)21-38-16-13-24(14-17-38)35-29-19-32-30(18-28(29)36-25-6-5-15-34-20-25)37-27-7-3-4-8-31(27)39(32)26-11-9-23(33)10-12-26/h3-12,15,18-20,22,24,36H,13-14,16-17,21H2,1-2H3/b35-29+
InChIKeyUUBKUPJIHSDBLJ-OZMGXUMRSA-N
MW537.11 g/mol
LogP6.94
Rot. Bonds6

About 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592452) has the molecular formula C32H33ClN6 and a molecular weight of 537.11 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
PubChem CID56592452
Molecular FormulaC32H33ClN6
Molecular Weight537.11 g/mol
Exact Mass536.25
IUPAC Name5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
SMILESCC(C)CN1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C32H33ClN6/c1-22(2)21-38-16-13-24(14-17-38)35-29-19-32-30(18-28(29)36-25-6-5-15-34-20-25)37-27-7-3-4-8-31(27)39(32)26-11-9-23(33)10-12-26/h3-12,15,18-20,22,24,36H,13-14,16-17,21H2,1-2H3/b35-29+
InChIKeyUUBKUPJIHSDBLJ-OZMGXUMRSA-N
XLogP6.94
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.11
LogP ≤ 56.94
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-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine (CID 56592452) is 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine is CC(C)CN1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is UUBKUPJIHSDBLJ-OZMGXUMRSA-N. The full InChI is InChI=1S/C32H33ClN6/c1-22(2)21-38-16-13-24(14-17-38)35-29-19-32-30(18-28(29)36-25-6-5-15-34-20-25)37-27-7-3-4-8-31(27)39(32)26-11-9-23(33)10-12-26/h3-12,15,18-20,22,24,36H,13-14,16-17,21H2,1-2H3/b35-29+.
What are the key properties of 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 537.11 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).