N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H10F3N3O2 — CID 59828231

IUPACN-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C)/C=N/C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H10F3N3O2/c1-16(2)5-14-8(17)6-3-4-7(10(11,12)13)15-9(6)18/h3-5H,1-2H3,(H,15,18)/b14-5+
InChIKeyAZBRBHGYOQVUSP-LHHJGKSTSA-N
MW261.20 g/mol
LogP1.12
Rot. Bonds2

About N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 59828231) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID59828231
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC NameN-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(C)/C=N/C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H10F3N3O2/c1-16(2)5-14-8(17)6-3-4-7(10(11,12)13)15-9(6)18/h3-5H,1-2H3,(H,15,18)/b14-5+
InChIKeyAZBRBHGYOQVUSP-LHHJGKSTSA-N
XLogP1.12
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 59828231) is N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(C)/C=N/C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AZBRBHGYOQVUSP-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-16(2)5-14-8(17)6-3-4-7(10(11,12)13)15-9(6)18/h3-5H,1-2H3,(H,15,18)/b14-5+.
What are the key properties of N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 261.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).