methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate

C18H19F4N5O — CID 144599052

IUPACmethyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1c(N)cc(NC(=C)N[C@H](C)c2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H19F4N5O/c1-9(11-4-6-12(19)7-5-11)25-10(2)26-14-8-13(23)15(17(24)28-3)16(27-14)18(20,21)22/h4-9,24-25H,2H2,1,3H3,(H3,23,26,27)/b24-17-/t9-/m1/s1
InChIKeyLTDBWAFFFWJJHX-AIESTTBSSA-N
MW397.38 g/mol
LogP4.03
Rot. Bonds6

About methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate

methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate (PubChem CID 144599052) has the molecular formula C18H19F4N5O and a molecular weight of 397.38 g/mol. Its IUPAC name is methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate
PubChem CID144599052
Molecular FormulaC18H19F4N5O
Molecular Weight397.38 g/mol
Exact Mass397.15
IUPAC Namemethyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1c(N)cc(NC(=C)N[C@H](C)c2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H19F4N5O/c1-9(11-4-6-12(19)7-5-11)25-10(2)26-14-8-13(23)15(17(24)28-3)16(27-14)18(20,21)22/h4-9,24-25H,2H2,1,3H3,(H3,23,26,27)/b24-17-/t9-/m1/s1
InChIKeyLTDBWAFFFWJJHX-AIESTTBSSA-N
XLogP4.03
TPSA96.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

methyl 4-amino-6-[[N-[1-(4-fluorophenyl)ethyl]-C-methylcarbonimidoyl]amino]-2-(trifluoromethyl)pyridine-3-carboximidate
CID 123617962
methyl 4-amino-6-[[1-(3-chloro-4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-2-(hydroxymethyl)pyridine-3-carboximidate
CID 123261792
1-[4-amino-5-(4-fluorobenzenecarboximidoyl)-6-(hydroxymethyl)-2-pyridinyl]-3-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxybut-3-ynyl]urea
CID 144869681
methyl 4-amino-6-[1-(4-chloro-3-methylphenyl)ethylcarbamoylamino]pyridine-3-carboximidate
CID 123473234
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 135020508
1-[1-(4-fluorophenyl)ethyl]-3-[4-(1-hydroxyethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123739355
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78765448
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate?
The IUPAC name of methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate (CID 144599052) is methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate.
What is the SMILES notation for methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate?
The canonical SMILES for methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate is [H]/N=C(\OC)c1c(N)cc(NC(=C)N[C@H](C)c2ccc(F)cc2)nc1C(F)(F)F.
What is the InChIKey of methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate?
The InChIKey is LTDBWAFFFWJJHX-AIESTTBSSA-N. The full InChI is InChI=1S/C18H19F4N5O/c1-9(11-4-6-12(19)7-5-11)25-10(2)26-14-8-13(23)15(17(24)28-3)16(27-14)18(20,21)22/h4-9,24-25H,2H2,1,3H3,(H3,23,26,27)/b24-17-/t9-/m1/s1.
What are the key properties of methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate?
methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate has a molecular weight of 397.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethenylamino]-2-(trifluoromethyl)pyridine-3-carboximidate is sourced from PubChem (CID 144599052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).