3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine

C28H25N5 — CID 66805573

IUPAC3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ccc(-n2c3c/c(=N\C4CC4)c(Nc4cncc(C)c4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C28H25N5/c1-18-7-11-22(12-8-18)33-27-6-4-3-5-23(27)32-26-14-24(31-21-13-19(2)16-29-17-21)25(15-28(26)33)30-20-9-10-20/h3-8,11-17,20,31H,9-10H2,1-2H3/b30-25+
InChIKeyJYGWMYJDWCMHHM-QCWLDUFUSA-N
MW431.54 g/mol
LogP5.95
Rot. Bonds4

About 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine

3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805573) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66805573
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC Name3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ccc(-n2c3c/c(=N\C4CC4)c(Nc4cncc(C)c4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C28H25N5/c1-18-7-11-22(12-8-18)33-27-6-4-3-5-23(27)32-26-14-24(31-21-13-19(2)16-29-17-21)25(15-28(26)33)30-20-9-10-20/h3-8,11-17,20,31H,9-10H2,1-2H3/b30-25+
InChIKeyJYGWMYJDWCMHHM-QCWLDUFUSA-N
XLogP5.95
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
CID 66805892
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
CID 66805881
5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
CID 56592282
5-cyclohexa-1,3-dien-1-yl-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine
CID 68624704
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyrimidin-5-ylphenazin-2-amine
CID 66805753
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824
3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805850

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine (CID 66805573) is 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine is Cc1ccc(-n2c3c/c(=N\C4CC4)c(Nc4cncc(C)c4)cc-3nc3ccccc32)cc1.
What is the InChIKey of 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is JYGWMYJDWCMHHM-QCWLDUFUSA-N. The full InChI is InChI=1S/C28H25N5/c1-18-7-11-22(12-8-18)33-27-6-4-3-5-23(27)32-26-14-24(31-21-13-19(2)16-29-17-21)25(15-28(26)33)30-20-9-10-20/h3-8,11-17,20,31H,9-10H2,1-2H3/b30-25+.
What are the key properties of 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).