methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate

C13H15F3N2O3 — CID 174884606

IUPACmethyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)(F)F)c(N)c1C(=O)C(C)(C)C
InChIInChI=1S/C13H15F3N2O3/c1-12(2,3)10(19)7-8(17)6(13(14,15)16)5-18-9(7)11(20)21-4/h5H,1-4H3,(H2,17,18)
InChIKeyPFKZKUUCYDSVID-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.70
Rot. Bonds2

About methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 174884606) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID174884606
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Namemethyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)(F)F)c(N)c1C(=O)C(C)(C)C
InChIInChI=1S/C13H15F3N2O3/c1-12(2,3)10(19)7-8(17)6(13(14,15)16)5-18-9(7)11(20)21-4/h5H,1-4H3,(H2,17,18)
InChIKeyPFKZKUUCYDSVID-UHFFFAOYSA-N
XLogP2.70
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl 4-aminopyridine-2,3-dicarboxylate
CID 14282694
Methyl4-amino-3-methylpyridine-2-carboxylatehydrochloride
CID 165741461
Methyl 3-methyl-5-(trifluoromethyl)picolinate
CID 117814421
Propan-2-yl 4-(3,3-difluoroprop-2-enylamino)-5-methanimidoylpyridine-2-carboxylate
CID 132182795
methyl 4-[2,2-difluoropropyl(methyl)amino]-5-[(E)-2-methylbut-1-enyl]pyridine-2-carboxylate
CID 135136068
Methyl 3-amino-4-methyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 141504260
Methyl 3-(2,2-dimethylpropanoylamino)-4-methyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 141504261
Methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 144768295
Methyl 5-acetyl-4-(3,3,3-trifluoropropanoylamino)pyridine-2-carboxylate
CID 169956860
methyl 4-methyl-2-oxo-3-(trifluoromethyl)-1H-1,6-naphthyridine-7-carboxylate
CID 169956861
Methyl 3-amino-4-fluoro-5-methylpyridine-2-carboxylate
CID 171461769
methyl 3-ethyl-8-fluoro-2-oxo-1H-1,6-naphthyridine-7-carboxylate
CID 171486292

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate (CID 174884606) is methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ncc(C(F)(F)F)c(N)c1C(=O)C(C)(C)C.
What is the InChIKey of methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is PFKZKUUCYDSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(2,3)10(19)7-8(17)6(13(14,15)16)5-18-9(7)11(20)21-4/h5H,1-4H3,(H2,17,18).
What are the key properties of methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 304.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 174884606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).