N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C15H12F3N3O — CID 171130054

IUPACN-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILES[H]/N=C(/NC(=O)c1cnccc1C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C15H12F3N3O/c1-9-3-2-4-10(7-9)13(19)21-14(22)11-8-20-6-5-12(11)15(16,17)18/h2-8H,1H3,(H2,19,21,22)
InChIKeyFGTGGUJJHDWREQ-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.16
Rot. Bonds2

About N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171130054) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID171130054
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILES[H]/N=C(/NC(=O)c1cnccc1C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C15H12F3N3O/c1-9-3-2-4-10(7-9)13(19)21-14(22)11-8-20-6-5-12(11)15(16,17)18/h2-8H,1H3,(H2,19,21,22)
InChIKeyFGTGGUJJHDWREQ-UHFFFAOYSA-N
XLogP3.16
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
4-(trifluoromethyl)-N-[5-(trifluoromethyl)thiophene-2-carbonyl]pyridine-3-carboxamide
CID 123747904
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N-(5-cyanothiophene-2-carbonyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 123784382
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
N'-(1-cyanoethyl)-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983740

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 171130054) is N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is [H]/N=C(/NC(=O)c1cnccc1C(F)(F)F)c1cccc(C)c1.
What is the InChIKey of N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FGTGGUJJHDWREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-9-3-2-4-10(7-9)13(19)21-14(22)11-8-20-6-5-12(11)15(16,17)18/h2-8H,1H3,(H2,19,21,22).
What are the key properties of N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzenecarboximidoyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171130054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).