N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide

C19H24F3N3O2 — CID 142429276

IUPACN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCN1CC=C(c2cccc(C(F)(F)F)n2)CC1)C1CCCOC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)
InChIKeyLUQGVAHGIPCKGZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.73
Rot. Bonds5

About N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide

N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide (PubChem CID 142429276) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide
PubChem CID142429276
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCN1CC=C(c2cccc(C(F)(F)F)n2)CC1)C1CCCOC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26)
InChIKeyLUQGVAHGIPCKGZ-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide (CID 142429276) is N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide is O=C(NCCN1CC=C(c2cccc(C(F)(F)F)n2)CC1)C1CCCOC1.
What is the InChIKey of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide?
The InChIKey is LUQGVAHGIPCKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)17-5-1-4-16(24-17)14-6-9-25(10-7-14)11-8-23-18(26)15-3-2-12-27-13-15/h1,4-6,15H,2-3,7-13H2,(H,23,26).
What are the key properties of N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide?
N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 142429276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).