(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide

C15H21F3N2O2 — CID 97196114

IUPAC(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
SMILESCC[C@@H](C(=O)NC(C)(C)C)n1c(C)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C15H21F3N2O2/c1-6-11(13(22)19-14(3,4)5)20-9(2)7-10(8-12(20)21)15(16,17)18/h7-8,11H,6H2,1-5H3,(H,19,22)/t11-/m0/s1
InChIKeyYGZCJKYCMIXPSG-NSHDSACASA-N
MW318.34 g/mol
LogP3.04
Rot. Bonds3

About (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide

(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide (PubChem CID 97196114) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
PubChem CID97196114
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
SMILESCC[C@@H](C(=O)NC(C)(C)C)n1c(C)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C15H21F3N2O2/c1-6-11(13(22)19-14(3,4)5)20-9(2)7-10(8-12(20)21)15(16,17)18/h7-8,11H,6H2,1-5H3,(H,19,22)/t11-/m0/s1
InChIKeyYGZCJKYCMIXPSG-NSHDSACASA-N
XLogP3.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pentan-3-ylacetamide
CID 16377604
4-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 72046369
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
(2S)-2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 94026741
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-pentan-2-yl]acetamide
CID 94177643
(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
CID 137994880
2-[3-amino-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-(2-ethylbutyl)acetamide
CID 135186733
2-[3-Acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide
CID 141104540
2-[5-(2,2-difluoroethenyl)-2-oxo-3H-azepin-1-yl]butanamide
CID 141264582
3-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,2-dihydropyridine-4-carboxamide
CID 144174824

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide (CID 97196114) is (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide is CC[C@@H](C(=O)NC(C)(C)C)n1c(C)cc(C(F)(F)F)cc1=O.
What is the InChIKey of (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
The InChIKey is YGZCJKYCMIXPSG-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-6-11(13(22)19-14(3,4)5)20-9(2)7-10(8-12(20)21)15(16,17)18/h7-8,11H,6H2,1-5H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide has a molecular weight of 318.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 97196114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).