5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine

C29H27ClN6 — CID 164620429

IUPAC5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCN4CCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C29H27ClN6/c30-21-9-11-23(12-10-21)36-28-8-2-1-7-24(28)34-27-18-26(33-22-6-5-13-31-20-22)25(19-29(27)36)32-14-17-35-15-3-4-16-35/h1-2,5-13,18-20,33H,3-4,14-17H2/b32-25+
InChIKeyVFPBUHLDZIYEOO-WGPBWIAQSA-N
MW495.03 g/mol
LogP5.92
Rot. Bonds6

About 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine

5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine (PubChem CID 164620429) has the molecular formula C29H27ClN6 and a molecular weight of 495.03 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine
PubChem CID164620429
Molecular FormulaC29H27ClN6
Molecular Weight495.03 g/mol
Exact Mass494.20
IUPAC Name5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCN4CCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C29H27ClN6/c30-21-9-11-23(12-10-21)36-28-8-2-1-7-24(28)34-27-18-26(33-22-6-5-13-31-20-22)25(19-29(27)36)32-14-17-35-15-3-4-16-35/h1-2,5-13,18-20,33H,3-4,14-17H2/b32-25+
InChIKeyVFPBUHLDZIYEOO-WGPBWIAQSA-N
XLogP5.92
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 55.92
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)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine (CID 164620429) is 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine is Clc1ccc(-n2c3c/c(=N\CCN4CCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine?
The InChIKey is VFPBUHLDZIYEOO-WGPBWIAQSA-N. The full InChI is InChI=1S/C29H27ClN6/c30-21-9-11-23(12-10-21)36-28-8-2-1-7-24(28)34-27-18-26(33-22-6-5-13-31-20-22)25(19-29(27)36)32-14-17-35-15-3-4-16-35/h1-2,5-13,18-20,33H,3-4,14-17H2/b32-25+.
What are the key properties of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine?
5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine has a molecular weight of 495.03 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine is sourced from PubChem (CID 164620429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).