N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C14H10F3N3O2 — CID 167658935

IUPACN-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C14H10F3N3O2/c1-8(21)9-3-5-12(19-6-9)20-13(22)10-2-4-11(18-7-10)14(15,16)17/h2-7H,1H3,(H,19,20,22)
InChIKeyVYEYVLJBBAYPIH-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.95
Rot. Bonds3

About N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167658935) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167658935
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC NameN-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C14H10F3N3O2/c1-8(21)9-3-5-12(19-6-9)20-13(22)10-2-4-11(18-7-10)14(15,16)17/h2-7H,1H3,(H,19,20,22)
InChIKeyVYEYVLJBBAYPIH-UHFFFAOYSA-N
XLogP2.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
N-quinolin-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47019901
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122143388
1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone
CID 126484044
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167658935) is N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)nc1.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VYEYVLJBBAYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c1-8(21)9-3-5-12(19-6-9)20-13(22)10-2-4-11(18-7-10)14(15,16)17/h2-7H,1H3,(H,19,20,22).
What are the key properties of N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 309.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167658935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).