6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide

C14H14F3N3O2S — CID 71985929

IUPAC6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(C)[nH]c1=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3O2S/c1-3-9(13-20-10(6-23-13)14(15,16)17)19-12(22)8-5-4-7(2)18-11(8)21/h4-6,9H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAGZJEZMZFLELDK-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.04
Rot. Bonds4

About 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide (PubChem CID 71985929) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide
PubChem CID71985929
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(C)[nH]c1=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3O2S/c1-3-9(13-20-10(6-23-13)14(15,16)17)19-12(22)8-5-4-7(2)18-11(8)21/h4-6,9H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyAGZJEZMZFLELDK-UHFFFAOYSA-N
XLogP3.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide (CID 71985929) is 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide is CCC(NC(=O)c1ccc(C)[nH]c1=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide?
The InChIKey is AGZJEZMZFLELDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-3-9(13-20-10(6-23-13)14(15,16)17)19-12(22)8-5-4-7(2)18-11(8)21/h4-6,9H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71985929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).