N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

C15H21F3N2O — CID 95967296

IUPACN-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cn1
InChIInChI=1S/C15H21F3N2O/c1-10(2)12(4)20(9-15(16,17)18)14(21)7-13-6-5-11(3)19-8-13/h5-6,8,10,12H,7,9H2,1-4H3/t12-/m0/s1
InChIKeyHCKXTAFWBWYWDI-LBPRGKRZSA-N
MW302.34 g/mol
LogP3.37
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95967296) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95967296
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cn1
InChIInChI=1S/C15H21F3N2O/c1-10(2)12(4)20(9-15(16,17)18)14(21)7-13-6-5-11(3)19-8-13/h5-6,8,10,12H,7,9H2,1-4H3/t12-/m0/s1
InChIKeyHCKXTAFWBWYWDI-LBPRGKRZSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207
2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide
CID 122133173
N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 86895863
N-[(1R)-1-cyclopropylethyl]-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 95280380
2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119203001
N-cyclohexyl-N-cyclopropyl-2-(6-methyl-3-pyridinyl)acetamide
CID 71938431
(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94204725
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111697438

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 95967296) is N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(CC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cn1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HCKXTAFWBWYWDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)12(4)20(9-15(16,17)18)14(21)7-13-6-5-11(3)19-8-13/h5-6,8,10,12H,7,9H2,1-4H3/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 302.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95967296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).