5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

C14H15F3N2O — CID 176905890

IUPAC5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(C2=CCN(C3CC3)CC2)c[nH]1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)12-7-13(20)18-8-11(12)9-3-5-19(6-4-9)10-1-2-10/h3,7-8,10H,1-2,4-6H2,(H,18,20)
InChIKeySYWQPHYTWDYKKG-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.65
Rot. Bonds2

About 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176905890) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176905890
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(C2=CCN(C3CC3)CC2)c[nH]1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)12-7-13(20)18-8-11(12)9-3-5-19(6-4-9)10-1-2-10/h3,7-8,10H,1-2,4-6H2,(H,18,20)
InChIKeySYWQPHYTWDYKKG-UHFFFAOYSA-N
XLogP2.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 176905890) is 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(C2=CCN(C3CC3)CC2)c[nH]1.
What is the InChIKey of 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is SYWQPHYTWDYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)12-7-13(20)18-8-11(12)9-3-5-19(6-4-9)10-1-2-10/h3,7-8,10H,1-2,4-6H2,(H,18,20).
What are the key properties of 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 284.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176905890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).