6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide

C15H15F3N4O2 — CID 170610880

IUPAC6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1cc(C(F)(F)F)cc(-n2ccnc2)n1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-6-12(14(23)20-11-2-1-5-24-8-11)21-13(7-10)22-4-3-19-9-22/h3-4,6-7,9,11H,1-2,5,8H2,(H,20,23)/t11-/m1/s1
InChIKeyIYQNLFIPXKIXLH-LLVKDONJSA-N
MW340.31 g/mol
LogP2.19
Rot. Bonds3

About 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide

6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170610880) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID170610880
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1cc(C(F)(F)F)cc(-n2ccnc2)n1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-6-12(14(23)20-11-2-1-5-24-8-11)21-13(7-10)22-4-3-19-9-22/h3-4,6-7,9,11H,1-2,5,8H2,(H,20,23)/t11-/m1/s1
InChIKeyIYQNLFIPXKIXLH-LLVKDONJSA-N
XLogP2.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610855
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 156885949
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774256
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
CID 170774255
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610820
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166480957
6-imidazol-1-yl-4-methyl-N-[(3R)-2-oxopiperidin-3-yl]pyridine-2-carboxamide
CID 170610802

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 170610880) is 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide is O=C(N[C@@H]1CCCOC1)c1cc(C(F)(F)F)cc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IYQNLFIPXKIXLH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)10-6-12(14(23)20-11-2-1-5-24-8-11)21-13(7-10)22-4-3-19-9-22/h3-4,6-7,9,11H,1-2,5,8H2,(H,20,23)/t11-/m1/s1.
What are the key properties of 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide?
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170610880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).