(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide

C18H19F3N4O2 — CID 91809810

IUPAC(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
SMILESCc1nc(N2CCC(NC(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O2/c1-12-22-15(18(19,20)21)11-16(23-12)25-8-6-13(7-9-25)24-17(26)5-4-14-3-2-10-27-14/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)/b5-4+
InChIKeyZJTOEUGYORSKDZ-SNAWJCMRSA-N
MW380.37 g/mol
LogP3.20
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide (PubChem CID 91809810) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
PubChem CID91809810
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
SMILESCc1nc(N2CCC(NC(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H19F3N4O2/c1-12-22-15(18(19,20)21)11-16(23-12)25-8-6-13(7-9-25)24-17(26)5-4-14-3-2-10-27-14/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)/b5-4+
InChIKeyZJTOEUGYORSKDZ-SNAWJCMRSA-N
XLogP3.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide (CID 91809810) is (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide is Cc1nc(N2CCC(NC(=O)/C=C/c3ccco3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide?
The InChIKey is ZJTOEUGYORSKDZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-12-22-15(18(19,20)21)11-16(23-12)25-8-6-13(7-9-25)24-17(26)5-4-14-3-2-10-27-14/h2-5,10-11,13H,6-9H2,1H3,(H,24,26)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide has a molecular weight of 380.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 91809810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).