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

C27H21Cl2N5 — CID 66805850

IUPAC3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1
InChIInChI=1S/C27H21Cl2N5/c1-16-21(6-4-12-30-16)32-23-14-25-27(15-24(23)31-17-8-9-17)34(18-10-11-19(28)20(29)13-18)26-7-3-2-5-22(26)33-25/h2-7,10-15,17,32H,8-9H2,1H3/b31-24+
InChIKeyUFFKRPNLXKOEDE-QFMPWRQOSA-N
MW486.41 g/mol
LogP6.95
Rot. Bonds4

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

3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805850) has the molecular formula C27H21Cl2N5 and a molecular weight of 486.41 g/mol. Its IUPAC name is 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66805850
Molecular FormulaC27H21Cl2N5
Molecular Weight486.41 g/mol
Exact Mass485.12
IUPAC Name3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1
InChIInChI=1S/C27H21Cl2N5/c1-16-21(6-4-12-30-16)32-23-14-25-27(15-24(23)31-17-8-9-17)34(18-10-11-19(28)20(29)13-18)26-7-3-2-5-22(26)33-25/h2-7,10-15,17,32H,8-9H2,1H3/b31-24+
InChIKeyUFFKRPNLXKOEDE-QFMPWRQOSA-N
XLogP6.95
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 56.95
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine (CID 66805850) is 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine is Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1.
What is the InChIKey of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is UFFKRPNLXKOEDE-QFMPWRQOSA-N. The full InChI is InChI=1S/C27H21Cl2N5/c1-16-21(6-4-12-30-16)32-23-14-25-27(15-24(23)31-17-8-9-17)34(18-10-11-19(28)20(29)13-18)26-7-3-2-5-22(26)33-25/h2-7,10-15,17,32H,8-9H2,1H3/b31-24+.
What are the key properties of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine?
3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 486.41 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).