2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine

C17H19F3N4O — CID 123431293

IUPAC2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILES[H]/N=C(\C(C)C)n1cc(-c2ccc(OC(F)(F)F)cc2)cc(N)/c1=N\C
InChIInChI=1S/C17H19F3N4O/c1-10(2)15(22)24-9-12(8-14(21)16(24)23-3)11-4-6-13(7-5-11)25-17(18,19)20/h4-10,22H,21H2,1-3H3/b22-15+,23-16+
InChIKeyZAFFFWMLZCAEQB-QAOSGDJLSA-N
MW352.36 g/mol
LogP3.65
Rot. Bonds3

About 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine

2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine (PubChem CID 123431293) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
PubChem CID123431293
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILES[H]/N=C(\C(C)C)n1cc(-c2ccc(OC(F)(F)F)cc2)cc(N)/c1=N\C
InChIInChI=1S/C17H19F3N4O/c1-10(2)15(22)24-9-12(8-14(21)16(24)23-3)11-4-6-13(7-5-11)25-17(18,19)20/h4-10,22H,21H2,1-3H3/b22-15+,23-16+
InChIKeyZAFFFWMLZCAEQB-QAOSGDJLSA-N
XLogP3.65
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849121
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849312
1-butan-2-yl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-amine
CID 83207724
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethoxy)aniline
CID 171391053
1-[2-[(2-fluorophenyl)methoxy]ethanimidoyl]-5-[4-(trifluoromethoxy)phenyl]pyridin-2-imine
CID 130184473
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804270

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The IUPAC name of 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine (CID 123431293) is 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine.
What is the SMILES notation for 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The canonical SMILES for 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine is [H]/N=C(\C(C)C)n1cc(-c2ccc(OC(F)(F)F)cc2)cc(N)/c1=N\C.
What is the InChIKey of 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
The InChIKey is ZAFFFWMLZCAEQB-QAOSGDJLSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-10(2)15(22)24-9-12(8-14(21)16(24)23-3)11-4-6-13(7-5-11)25-17(18,19)20/h4-10,22H,21H2,1-3H3/b22-15+,23-16+.
What are the key properties of 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine?
2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine has a molecular weight of 352.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1-(2-methylpropanimidoyl)-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine is sourced from PubChem (CID 123431293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).