N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine

C29H27N5O2 — CID 68632725

IUPACN-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccccc3)c-2c/c1=N\C1CCOCC1
InChIInChI=1S/C29H27N5O2/c1-35-29-23(11-7-15-30-29)33-24-18-26-28(19-25(24)31-20-13-16-36-17-14-20)34(21-8-3-2-4-9-21)27-12-6-5-10-22(27)32-26/h2-12,15,18-20,33H,13-14,16-17H2,1H3/b31-25+
InChIKeyUZEBFLPWKYPSED-QCKNELIISA-N
MW477.57 g/mol
LogP5.36
Rot. Bonds5

About N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine

N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine (PubChem CID 68632725) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine
PubChem CID68632725
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC NameN-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccccc3)c-2c/c1=N\C1CCOCC1
InChIInChI=1S/C29H27N5O2/c1-35-29-23(11-7-15-30-29)33-24-18-26-28(19-25(24)31-20-13-16-36-17-14-20)34(21-8-3-2-4-9-21)27-12-6-5-10-22(27)32-26/h2-12,15,18-20,33H,13-14,16-17H2,1H3/b31-25+
InChIKeyUZEBFLPWKYPSED-QCKNELIISA-N
XLogP5.36
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine?
The IUPAC name of N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine (CID 68632725) is N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine.
What is the SMILES notation for N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine?
The canonical SMILES for N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine is COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccccc3)c-2c/c1=N\C1CCOCC1.
What is the InChIKey of N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine?
The InChIKey is UZEBFLPWKYPSED-QCKNELIISA-N. The full InChI is InChI=1S/C29H27N5O2/c1-35-29-23(11-7-15-30-29)33-24-18-26-28(19-25(24)31-20-13-16-36-17-14-20)34(21-8-3-2-4-9-21)27-12-6-5-10-22(27)32-26/h2-12,15,18-20,33H,13-14,16-17H2,1H3/b31-25+.
What are the key properties of N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine?
N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine has a molecular weight of 477.57 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine is sourced from PubChem (CID 68632725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).