methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate

C14H17F3N2O4 — CID 71087523

IUPACmethyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C14H17F3N2O4/c1-8-5-6-9(18-11(8)23-7-14(15,16)17)10(20)19-13(2,3)12(21)22-4/h5-6H,7H2,1-4H3,(H,19,20)
InChIKeyZZMFXRUCFZHIFN-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.01
Rot. Bonds5

About methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate

methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate (PubChem CID 71087523) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate
PubChem CID71087523
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Namemethyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C14H17F3N2O4/c1-8-5-6-9(18-11(8)23-7-14(15,16)17)10(20)19-13(2,3)12(21)22-4/h5-6H,7H2,1-4H3,(H,19,20)
InChIKeyZZMFXRUCFZHIFN-UHFFFAOYSA-N
XLogP2.01
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylmethoxy)-5-methyl-N-(2-methyl-3-oxopentan-2-yl)pyridine-2-carboxamide
CID 159005952
methyl 2-[[6-(cyclopropylmethoxy)-5-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
CID 71087775
6-methoxy-5-methylpyridine-2-carbohydrazide
CID 71463777
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
2-methyl-2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119187579
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
methyl 6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate
CID 102941448
methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate
CID 61258651
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908464
5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 71114290

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate (CID 71087523) is methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate is COC(=O)C(C)(C)NC(=O)c1ccc(C)c(OCC(F)(F)F)n1.
What is the InChIKey of methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate?
The InChIKey is ZZMFXRUCFZHIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-8-5-6-9(18-11(8)23-7-14(15,16)17)10(20)19-13(2,3)12(21)22-4/h5-6H,7H2,1-4H3,(H,19,20).
What are the key properties of methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate?
methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate has a molecular weight of 334.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 71087523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).