2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C15H14F3N4O2+ — CID 100818949

IUPAC2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESNNC(=O)c1cc[n+](CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)11-3-1-2-4-12(11)20-13(23)9-22-7-5-10(6-8-22)14(24)21-19/h1-8,19H,9H2,(H2,20,23,24)/p+1
InChIKeyZWHZMBNREGAMLX-UHFFFAOYSA-O
MW339.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 100818949) has the molecular formula C15H14F3N4O2+ and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID100818949
Molecular FormulaC15H14F3N4O2+
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESNNC(=O)c1cc[n+](CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)11-3-1-2-4-12(11)20-13(23)9-22-7-5-10(6-8-22)14(24)21-19/h1-8,19H,9H2,(H2,20,23,24)/p+1
InChIKeyZWHZMBNREGAMLX-UHFFFAOYSA-O
XLogP1.24
TPSA88.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
2-isoquinolin-2-ium-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4130643
2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8876646
2-(2-methylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8827004
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-[(Z)-[4-oxo-4-[2-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 5369499
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 100818949) is 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is NNC(=O)c1cc[n+](CC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZWHZMBNREGAMLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)11-3-1-2-4-12(11)20-13(23)9-22-7-5-10(6-8-22)14(24)21-19/h1-8,19H,9H2,(H2,20,23,24)/p+1.
What are the key properties of 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 339.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydrazinecarbonyl)pyridin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 100818949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).