3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine

C28H25N5 — CID 66805723

IUPAC3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCC2)cn1
InChIInChI=1S/C28H25N5/c1-19-14-15-21(18-29-19)31-24-16-26-28(17-25(24)30-20-8-7-9-20)33(22-10-3-2-4-11-22)27-13-6-5-12-23(27)32-26/h2-6,10-18,20,31H,7-9H2,1H3/b30-25+
InChIKeyBDTQEBYYPFPJCN-QCWLDUFUSA-N
MW431.54 g/mol
LogP6.03
Rot. Bonds4

About 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine

3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine (PubChem CID 66805723) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine.

Molecular Properties

Compound Name3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
PubChem CID66805723
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC Name3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCC2)cn1
InChIInChI=1S/C28H25N5/c1-19-14-15-21(18-29-19)31-24-16-26-28(17-25(24)30-20-8-7-9-20)33(22-10-3-2-4-11-22)27-13-6-5-12-23(27)32-26/h2-6,10-18,20,31H,7-9H2,1H3/b30-25+
InChIKeyBDTQEBYYPFPJCN-QCWLDUFUSA-N
XLogP6.03
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 ≤ 56.03
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-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717
3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
CID 66805573
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
CID 66805881
4-[[(2E,3E)-2,3-di(ethylidene)-7-[(6-methyl-3-pyridinyl)amino]-4-phenylquinoxalin-6-ylidene]amino]cyclohexan-1-ol
CID 87519550
N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine
CID 68632725
5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805676
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-7-methyl-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66805872
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
CID 66805892

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
The IUPAC name of 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine (CID 66805723) is 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine.
What is the SMILES notation for 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
The canonical SMILES for 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine is Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\C2CCC2)cn1.
What is the InChIKey of 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
The InChIKey is BDTQEBYYPFPJCN-QCWLDUFUSA-N. The full InChI is InChI=1S/C28H25N5/c1-19-14-15-21(18-29-19)31-24-16-26-28(17-25(24)30-20-8-7-9-20)33(22-10-3-2-4-11-22)27-13-6-5-12-23(27)32-26/h2-6,10-18,20,31H,7-9H2,1H3/b30-25+.
What are the key properties of 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine?
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine is sourced from PubChem (CID 66805723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).