(2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide

C15H20F3N3O3 — CID 95297532

IUPAC(2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H20F3N3O3/c1-9(2)6-11(14(24)19-3)20-12(22)8-21-7-10(15(16,17)18)4-5-13(21)23/h4-5,7,9,11H,6,8H2,1-3H3,(H,19,24)(H,20,22)/t11-/m0/s1
InChIKeyPRCHZPDBCIWYPG-NSHDSACASA-N
MW347.34 g/mol
LogP1.14
Rot. Bonds6

About (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide

(2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide (PubChem CID 95297532) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide
PubChem CID95297532
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C15H20F3N3O3/c1-9(2)6-11(14(24)19-3)20-12(22)8-21-7-10(15(16,17)18)4-5-13(21)23/h4-5,7,9,11H,6,8H2,1-3H3,(H,19,24)(H,20,22)/t11-/m0/s1
InChIKeyPRCHZPDBCIWYPG-NSHDSACASA-N
XLogP1.14
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
The IUPAC name of (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide (CID 95297532) is (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide.
What is the SMILES notation for (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
The canonical SMILES for (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide is CNC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
The InChIKey is PRCHZPDBCIWYPG-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-9(2)6-11(14(24)19-3)20-12(22)8-21-7-10(15(16,17)18)4-5-13(21)23/h4-5,7,9,11H,6,8H2,1-3H3,(H,19,24)(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
(2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide has a molecular weight of 347.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide is sourced from PubChem (CID 95297532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).