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

C33H36N6 — CID 56592282

IUPAC5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
SMILESCc1ccc(-n2c3c/c(=N\C4CCN(CC(C)C)CC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C33H36N6/c1-23(2)22-38-17-14-25(15-18-38)35-30-20-33-31(19-29(30)36-26-7-6-16-34-21-26)37-28-8-4-5-9-32(28)39(33)27-12-10-24(3)11-13-27/h4-13,16,19-21,23,25,36H,14-15,17-18,22H2,1-3H3/b35-30+
InChIKeyNPBDJLRVCNEDMT-WUZYOQQESA-N
MW516.69 g/mol
LogP6.60
Rot. Bonds6

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

5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592282) has the molecular formula C33H36N6 and a molecular weight of 516.69 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
PubChem CID56592282
Molecular FormulaC33H36N6
Molecular Weight516.69 g/mol
Exact Mass516.30
IUPAC Name5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
SMILESCc1ccc(-n2c3c/c(=N\C4CCN(CC(C)C)CC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C33H36N6/c1-23(2)22-38-17-14-25(15-18-38)35-30-20-33-31(19-29(30)36-26-7-6-16-34-21-26)37-28-8-4-5-9-32(28)39(33)27-12-10-24(3)11-13-27/h4-13,16,19-21,23,25,36H,14-15,17-18,22H2,1-3H3/b35-30+
InChIKeyNPBDJLRVCNEDMT-WUZYOQQESA-N
XLogP6.60
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 56.60
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-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine (CID 56592282) is 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine is Cc1ccc(-n2c3c/c(=N\C4CCN(CC(C)C)CC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is NPBDJLRVCNEDMT-WUZYOQQESA-N. The full InChI is InChI=1S/C33H36N6/c1-23(2)22-38-17-14-25(15-18-38)35-30-20-33-31(19-29(30)36-26-7-6-16-34-21-26)37-28-8-4-5-9-32(28)39(33)27-12-10-24(3)11-13-27/h4-13,16,19-21,23,25,36H,14-15,17-18,22H2,1-3H3/b35-30+.
What are the key properties of 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine?
5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 516.69 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).