2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide

C12H14F3N3O2 — CID 2811172

IUPAC2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NN1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c1-8-9(2-3-10(16-8)12(13,14)15)11(19)17-18-4-6-20-7-5-18/h2-3H,4-7H2,1H3,(H,17,19)
InChIKeyGWLJYQKJZDNNNN-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.39
Rot. Bonds2

About 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2811172) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2811172
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NN1CCOCC1
InChIInChI=1S/C12H14F3N3O2/c1-8-9(2-3-10(16-8)12(13,14)15)11(19)17-18-4-6-20-7-5-18/h2-3H,4-7H2,1H3,(H,17,19)
InChIKeyGWLJYQKJZDNNNN-UHFFFAOYSA-N
XLogP1.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2811172) is 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NN1CCOCC1.
What is the InChIKey of 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GWLJYQKJZDNNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-8-9(2-3-10(16-8)12(13,14)15)11(19)17-18-4-6-20-7-5-18/h2-3H,4-7H2,1H3,(H,17,19).
What are the key properties of 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2811172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).