N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide

C17H20F3N3O3 — CID 166417099

IUPACN-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)n(CC)c2=O)CC1
InChIInChI=1S/C17H20F3N3O3/c1-3-14(24)22-9-7-11(8-10-22)15(25)21-12-5-6-13(17(18,19)20)23(4-2)16(12)26/h3,5-6,11H,1,4,7-10H2,2H3,(H,21,25)
InChIKeyPQDSVZLZXQGHMS-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.25
Rot. Bonds4

About N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166417099) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166417099
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC NameN-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)n(CC)c2=O)CC1
InChIInChI=1S/C17H20F3N3O3/c1-3-14(24)22-9-7-11(8-10-22)15(25)21-12-5-6-13(17(18,19)20)23(4-2)16(12)26/h3,5-6,11H,1,4,7-10H2,2H3,(H,21,25)
InChIKeyPQDSVZLZXQGHMS-UHFFFAOYSA-N
XLogP2.25
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166417099) is N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)n(CC)c2=O)CC1.
What is the InChIKey of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is PQDSVZLZXQGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-3-14(24)22-9-7-11(8-10-22)15(25)21-12-5-6-13(17(18,19)20)23(4-2)16(12)26/h3,5-6,11H,1,4,7-10H2,2H3,(H,21,25).
What are the key properties of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166417099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).