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

C15H20F3N3O3 — CID 95297533

IUPAC(2R)-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-/m1/s1
InChIKeyPRCHZPDBCIWYPG-LLVKDONJSA-N
MW347.34 g/mol
LogP1.14
Rot. Bonds6

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

(2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide (PubChem CID 95297533) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide.

Molecular Properties

Compound Name(2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide
PubChem CID95297533
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2R)-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-/m1/s1
InChIKeyPRCHZPDBCIWYPG-LLVKDONJSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
The IUPAC name of (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide (CID 95297533) is (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide.
What is the SMILES notation for (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
The canonical SMILES for (2R)-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 (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
The InChIKey is PRCHZPDBCIWYPG-LLVKDONJSA-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-/m1/s1.
What are the key properties of (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide?
(2R)-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 (2R)-N,4-dimethyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanamide is sourced from PubChem (CID 95297533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).