5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine

C31H31ClN6 — CID 164623770

IUPAC5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCCN4CCCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C31H31ClN6/c32-23-11-13-25(14-12-23)38-30-10-3-2-9-26(30)36-29-20-28(35-24-8-6-15-33-22-24)27(21-31(29)38)34-16-7-19-37-17-4-1-5-18-37/h2-3,6,8-15,20-22,35H,1,4-5,7,16-19H2/b34-27+
InChIKeyNGAJDXBWEZBYDO-DNGXXSEMSA-N
MW523.08 g/mol
LogP6.70
Rot. Bonds7

About 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine (PubChem CID 164623770) has the molecular formula C31H31ClN6 and a molecular weight of 523.08 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine
PubChem CID164623770
Molecular FormulaC31H31ClN6
Molecular Weight523.08 g/mol
Exact Mass522.23
IUPAC Name5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCCN4CCCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C31H31ClN6/c32-23-11-13-25(14-12-23)38-30-10-3-2-9-26(30)36-29-20-28(35-24-8-6-15-33-22-24)27(21-31(29)38)34-16-7-19-37-17-4-1-5-18-37/h2-3,6,8-15,20-22,35H,1,4-5,7,16-19H2/b34-27+
InChIKeyNGAJDXBWEZBYDO-DNGXXSEMSA-N
XLogP6.70
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.08
LogP ≤ 56.70
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-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine (CID 164623770) is 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine is Clc1ccc(-n2c3c/c(=N\CCCN4CCCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is NGAJDXBWEZBYDO-DNGXXSEMSA-N. The full InChI is InChI=1S/C31H31ClN6/c32-23-11-13-25(14-12-23)38-30-10-3-2-9-26(30)36-29-20-28(35-24-8-6-15-33-22-24)27(21-31(29)38)34-16-7-19-37-17-4-1-5-18-37/h2-3,6,8-15,20-22,35H,1,4-5,7,16-19H2/b34-27+.
What are the key properties of 5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-(3-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 523.08 g/mol, XLogP of 6.70, 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-piperidin-1-ylpropylimino)-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 164623770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).