2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide

C14H18F3N3O3 — CID 71971522

IUPAC2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C14H18F3N3O3/c1-13(2,3)12(23)18-7-10(21)19-9-5-4-6-20(11(9)22)8-14(15,16)17/h4-6H,7-8H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyIPFHXGMUDUUWSZ-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.51
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide (PubChem CID 71971522) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
PubChem CID71971522
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C14H18F3N3O3/c1-13(2,3)12(23)18-7-10(21)19-9-5-4-6-20(11(9)22)8-14(15,16)17/h4-6H,7-8H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyIPFHXGMUDUUWSZ-UHFFFAOYSA-N
XLogP1.51
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide (CID 71971522) is 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide?
The InChIKey is IPFHXGMUDUUWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-13(2,3)12(23)18-7-10(21)19-9-5-4-6-20(11(9)22)8-14(15,16)17/h4-6H,7-8H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide has a molecular weight of 333.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide is sourced from PubChem (CID 71971522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).