2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine

C21H17F3N4 — CID 140701094

IUPAC2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine
SMILES[H]/N=C(\C=C(N)C(F)(F)F)c1cc(N(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)20(26)14-18(25)19-13-17(11-12-27-19)28(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,25H,26H2/b20-14?,25-18+
InChIKeyLONBOEZKJBQDHJ-RLAVRWMZSA-N
MW382.39 g/mol
LogP5.32
Rot. Bonds5

About 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine

2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine (PubChem CID 140701094) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine.

Molecular Properties

Compound Name2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine
PubChem CID140701094
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine
SMILES[H]/N=C(\C=C(N)C(F)(F)F)c1cc(N(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)20(26)14-18(25)19-13-17(11-12-27-19)28(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,25H,26H2/b20-14?,25-18+
InChIKeyLONBOEZKJBQDHJ-RLAVRWMZSA-N
XLogP5.32
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine
CID 140701084
N-[4-[2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-4-pyridinyl]phenyl]-N,4-diphenylaniline
CID 140701134
1,1,1-trifluoro-4-imino-4-(4-nonyl-2-pyridinyl)but-2-en-2-amine
CID 140687388
4-[4-(3-ethylheptyl)-2-pyridinyl]-1,1,1-trifluoro-4-iminobut-2-en-2-amine
CID 140687307
1,1,1-trifluoro-4-imino-4-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-2-en-2-amine
CID 153435221
N-[2-[6-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-3-pyridinyl]ethynyl]-4-tert-butyl-N-(4-tert-butylphenyl)aniline
CID 140701165
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836
[(Z)-1-[6-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-1-methyl-4-(4-pentyl-N-(4-pentylphenyl)anilino)pyridin-1-ium-2-yl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide
CID 161469935
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine
CID 163705086
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine?
The IUPAC name of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine (CID 140701094) is 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine.
What is the SMILES notation for 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine?
The canonical SMILES for 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine is [H]/N=C(\C=C(N)C(F)(F)F)c1cc(N(c2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine?
The InChIKey is LONBOEZKJBQDHJ-RLAVRWMZSA-N. The full InChI is InChI=1S/C21H17F3N4/c22-21(23,24)20(26)14-18(25)19-13-17(11-12-27-19)28(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,25H,26H2/b20-14?,25-18+.
What are the key properties of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine?
2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine is sourced from PubChem (CID 140701094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).