N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide

C14H10F3N3O2S — CID 6391535

IUPACN-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(\CC(=O)C(F)(F)F)c1cccs1)c1ccncc1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)12(21)8-10(11-2-1-7-23-11)19-20-13(22)9-3-5-18-6-4-9/h1-7H,8H2,(H,20,22)/b19-10+
InChIKeyZOGTVDIQAVZLKB-VXLYETTFSA-N
MW341.31 g/mol
LogP2.80
Rot. Bonds5

About N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide

N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide (PubChem CID 6391535) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide
PubChem CID6391535
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(\CC(=O)C(F)(F)F)c1cccs1)c1ccncc1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)12(21)8-10(11-2-1-7-23-11)19-20-13(22)9-3-5-18-6-4-9/h1-7H,8H2,(H,20,22)/b19-10+
InChIKeyZOGTVDIQAVZLKB-VXLYETTFSA-N
XLogP2.80
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
CID 678526
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
CID 50896973
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
4-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
CID 3267397
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
CID 177392116
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
CID 84902461
4-cyclopentyloxy-N-[(Z)-1-thiophen-2-ylbutylideneamino]benzamide
CID 6536354

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide (CID 6391535) is N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide is O=C(N/N=C(\CC(=O)C(F)(F)F)c1cccs1)c1ccncc1.
What is the InChIKey of N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide?
The InChIKey is ZOGTVDIQAVZLKB-VXLYETTFSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)12(21)8-10(11-2-1-7-23-11)19-20-13(22)9-3-5-18-6-4-9/h1-7H,8H2,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide?
N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide has a molecular weight of 341.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbutylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 6391535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).