2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide

C14H18F3N3O3 — CID 33225106

IUPAC2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H18F3N3O3/c1-9(2)12(22)19-6-5-18-11(21)8-20-7-3-4-10(13(20)23)14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHBDALIPVSMIQFF-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.76
Rot. Bonds6

About 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide

2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide (PubChem CID 33225106) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide
PubChem CID33225106
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H18F3N3O3/c1-9(2)12(22)19-6-5-18-11(21)8-20-7-3-4-10(13(20)23)14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHBDALIPVSMIQFF-UHFFFAOYSA-N
XLogP0.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide (CID 33225106) is 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide?
The InChIKey is HBDALIPVSMIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-9(2)12(22)19-6-5-18-11(21)8-20-7-3-4-10(13(20)23)14(15,16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide has a molecular weight of 333.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 33225106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).