N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide

C14H11F3N2O — CID 115750579

IUPACN-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
SMILESCc1cc(C)nc(NC(=O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H11F3N2O/c1-7-3-8(2)18-12(4-7)19-14(20)9-5-10(15)13(17)11(16)6-9/h3-6H,1-2H3,(H,18,19,20)
InChIKeyONDDDAAOHWJLIP-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.37
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide

N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide (PubChem CID 115750579) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
PubChem CID115750579
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
SMILESCc1cc(C)nc(NC(=O)c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H11F3N2O/c1-7-3-8(2)18-12(4-7)19-14(20)9-5-10(15)13(17)11(16)6-9/h3-6H,1-2H3,(H,18,19,20)
InChIKeyONDDDAAOHWJLIP-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
CID 115750615
4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012
3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-6-propylpyridine-4-carboxamide
CID 114932118
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
N-(4,6-dimethyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 115750707
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 114932174
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide (CID 115750579) is N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide is Cc1cc(C)nc(NC(=O)c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide?
The InChIKey is ONDDDAAOHWJLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-7-3-8(2)18-12(4-7)19-14(20)9-5-10(15)13(17)11(16)6-9/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide?
N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide has a molecular weight of 280.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 115750579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).