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

C30H29ClN6 — CID 164616665

IUPAC5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCCN4CCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C30H29ClN6/c31-22-10-12-24(13-11-22)37-29-9-2-1-8-25(29)35-28-19-27(34-23-7-5-14-32-21-23)26(20-30(28)37)33-15-6-18-36-16-3-4-17-36/h1-2,5,7-14,19-21,34H,3-4,6,15-18H2/b33-26+
InChIKeyUFGQEHZRAOQYPT-MHTZHOPKSA-N
MW509.06 g/mol
LogP6.31
Rot. Bonds7

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

5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine (PubChem CID 164616665) has the molecular formula C30H29ClN6 and a molecular weight of 509.06 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
PubChem CID164616665
Molecular FormulaC30H29ClN6
Molecular Weight509.06 g/mol
Exact Mass508.21
IUPAC Name5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\CCCN4CCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C30H29ClN6/c31-22-10-12-24(13-11-22)37-29-9-2-1-8-25(29)35-28-19-27(34-23-7-5-14-32-21-23)26(20-30(28)37)33-15-6-18-36-16-3-4-17-36/h1-2,5,7-14,19-21,34H,3-4,6,15-18H2/b33-26+
InChIKeyUFGQEHZRAOQYPT-MHTZHOPKSA-N
XLogP6.31
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.06
LogP ≤ 56.31
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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Related Compounds

4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
N-(4-chlorophenyl)-5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridin-3-amine
CID 145949363
N-(4-Chlorophenyl)pyridine-2-methylamine
CID 639504
5-(4-chlorophenyl)-3-[4-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine;hydrochloride
CID 118721515
5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
CID 118721517
4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline
CID 155527589
5-(4-chlorophenyl)-3-[4-(dimethylamino)butylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164616047
8-Chloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline
CID 164616153
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 53377578
5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
CID 56592451
Piperazine, 1-(3-amino-4-pyridyl)-4-(p-chlorophenyl)-3-methyl-
CID 98937
1-N,2-N-bis[(6-chloro-3-pyridinyl)methyl]benzene-1,2-diamine
CID 1087800

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine (CID 164616665) is 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine is Clc1ccc(-n2c3c/c(=N\CCCN4CCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
The InChIKey is UFGQEHZRAOQYPT-MHTZHOPKSA-N. The full InChI is InChI=1S/C30H29ClN6/c31-22-10-12-24(13-11-22)37-29-9-2-1-8-25(29)35-28-19-27(34-23-7-5-14-32-21-23)26(20-30(28)37)33-15-6-18-36-16-3-4-17-36/h1-2,5,7-14,19-21,34H,3-4,6,15-18H2/b33-26+.
What are the key properties of 5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine?
5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine has a molecular weight of 509.06 g/mol, XLogP of 6.31, 7 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-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine is sourced from PubChem (CID 164616665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).