3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine

C27H23N5 — CID 66805717

IUPAC3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
SMILESCc1cncc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CC2)c1
InChIInChI=1S/C27H23N5/c1-18-13-20(17-28-16-18)30-23-14-25-27(15-24(23)29-19-11-12-19)32(21-7-3-2-4-8-21)26-10-6-5-9-22(26)31-25/h2-10,13-17,19,30H,11-12H2,1H3/b29-24+
InChIKeyAAHNACLEXJSYHA-RMLRFSFXSA-N
MW417.52 g/mol
LogP5.64
Rot. Bonds4

About 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine

3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine (PubChem CID 66805717) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine.

Molecular Properties

Compound Name3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
PubChem CID66805717
Molecular FormulaC27H23N5
Molecular Weight417.52 g/mol
Exact Mass417.20
IUPAC Name3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
SMILESCc1cncc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CC2)c1
InChIInChI=1S/C27H23N5/c1-18-13-20(17-28-16-18)30-23-14-25-27(15-24(23)29-19-11-12-19)32(21-7-3-2-4-8-21)26-10-6-5-9-22(26)31-25/h2-10,13-17,19,30H,11-12H2,1H3/b29-24+
InChIKeyAAHNACLEXJSYHA-RMLRFSFXSA-N
XLogP5.64
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.64
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-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
The IUPAC name of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine (CID 66805717) is 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine.
What is the SMILES notation for 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
The canonical SMILES for 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine is Cc1cncc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CC2)c1.
What is the InChIKey of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
The InChIKey is AAHNACLEXJSYHA-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H23N5/c1-18-13-20(17-28-16-18)30-23-14-25-27(15-24(23)29-19-11-12-19)32(21-7-3-2-4-8-21)26-10-6-5-9-22(26)31-25/h2-10,13-17,19,30H,11-12H2,1H3/b29-24+.
What are the key properties of 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine has a molecular weight of 417.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine is sourced from PubChem (CID 66805717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).