(5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C19H17F4N3O — CID 144782291

IUPAC(5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILES[H]/N=C/C(c1ccc(F)cc1)=c1/cc(C(=O)NCC(F)(F)F)cn/c1=C/CC
InChIInChI=1S/C19H17F4N3O/c1-2-3-17-15(16(9-24)12-4-6-14(20)7-5-12)8-13(10-25-17)18(27)26-11-19(21,22)23/h3-10,24H,2,11H2,1H3,(H,26,27)/b16-15+,17-3+,24-9+
InChIKeyWXSFFPIVCPYDSD-BIQQBTFQSA-N
MW379.36 g/mol
LogP2.55
Rot. Bonds5

About (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

(5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 144782291) has the molecular formula C19H17F4N3O and a molecular weight of 379.36 g/mol. Its IUPAC name is (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID144782291
Molecular FormulaC19H17F4N3O
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name(5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILES[H]/N=C/C(c1ccc(F)cc1)=c1/cc(C(=O)NCC(F)(F)F)cn/c1=C/CC
InChIInChI=1S/C19H17F4N3O/c1-2-3-17-15(16(9-24)12-4-6-14(20)7-5-12)8-13(10-25-17)18(27)26-11-19(21,22)23/h3-10,24H,2,11H2,1H3,(H,26,27)/b16-15+,17-3+,24-9+
InChIKeyWXSFFPIVCPYDSD-BIQQBTFQSA-N
XLogP2.55
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 144782291) is (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is [H]/N=C/C(c1ccc(F)cc1)=c1/cc(C(=O)NCC(F)(F)F)cn/c1=C/CC.
What is the InChIKey of (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is WXSFFPIVCPYDSD-BIQQBTFQSA-N. The full InChI is InChI=1S/C19H17F4N3O/c1-2-3-17-15(16(9-24)12-4-6-14(20)7-5-12)8-13(10-25-17)18(27)26-11-19(21,22)23/h3-10,24H,2,11H2,1H3,(H,26,27)/b16-15+,17-3+,24-9+.
What are the key properties of (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
(5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 379.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5-[1-(4-fluorophenyl)-2-iminoethylidene]-6-propylidene-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 144782291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).