N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide

C31H27F3N6O2 — CID 66806345

IUPACN-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CCOCC2)cn1
InChIInChI=1S/C31H27F3N6O2/c1-19(41)36-30-11-8-22(18-35-30)38-25-16-27-29(17-26(25)37-21-12-14-42-15-13-21)40(28-5-3-2-4-24(28)39-27)23-9-6-20(7-10-23)31(32,33)34/h2-11,16-18,21,38H,12-15H2,1H3,(H,35,36,41)/b37-26+
InChIKeyRXDMBUKWHDGFJW-AVLPFNLUSA-N
MW572.59 g/mol
LogP6.33
Rot. Bonds5

About N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide

N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide (PubChem CID 66806345) has the molecular formula C31H27F3N6O2 and a molecular weight of 572.59 g/mol. Its IUPAC name is N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide
PubChem CID66806345
Molecular FormulaC31H27F3N6O2
Molecular Weight572.59 g/mol
Exact Mass572.21
IUPAC NameN-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CCOCC2)cn1
InChIInChI=1S/C31H27F3N6O2/c1-19(41)36-30-11-8-22(18-35-30)38-25-16-27-29(17-26(25)37-21-12-14-42-15-13-21)40(28-5-3-2-4-24(28)39-27)23-9-6-20(7-10-23)31(32,33)34/h2-11,16-18,21,38H,12-15H2,1H3,(H,35,36,41)/b37-26+
InChIKeyRXDMBUKWHDGFJW-AVLPFNLUSA-N
XLogP6.33
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.59
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-[4-(trifluoromethyl)phenyl]phenazin-2-amine
CID 66805892
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
1-[5-[[3-propan-2-ylimino-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]propan-2-one
CID 160716464
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyrimidin-5-ylphenazin-2-amine
CID 66805753
N-(2-methoxy-3-pyridinyl)-3-(oxan-4-ylimino)-5-phenylphenazin-2-amine
CID 68632725
3-cyclopropylimino-5-(4-methylphenyl)-N-(5-methyl-3-pyridinyl)phenazin-2-amine
CID 66805573
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 66806320
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide (CID 66806345) is N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CCOCC2)cn1.
What is the InChIKey of N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is RXDMBUKWHDGFJW-AVLPFNLUSA-N. The full InChI is InChI=1S/C31H27F3N6O2/c1-19(41)36-30-11-8-22(18-35-30)38-25-16-27-29(17-26(25)37-21-12-14-42-15-13-21)40(28-5-3-2-4-24(28)39-27)23-9-6-20(7-10-23)31(32,33)34/h2-11,16-18,21,38H,12-15H2,1H3,(H,35,36,41)/b37-26+.
What are the key properties of N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide?
N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 572.59 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(oxan-4-ylimino)-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 66806345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).