ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate

C16H19N3O2 — CID 174613279

IUPACethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccn1)(NC)c1ccccn1
InChIInChI=1S/C16H19N3O2/c1-3-21-15(20)16(17-2,14-9-5-7-11-19-14)12-13-8-4-6-10-18-13/h4-11,17H,3,12H2,1-2H3
InChIKeySSCFCTZCMOQGIJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.70
Rot. Bonds6

About ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate

ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate (PubChem CID 174613279) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate
PubChem CID174613279
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate
SMILESCCOC(=O)C(Cc1ccccn1)(NC)c1ccccn1
InChIInChI=1S/C16H19N3O2/c1-3-21-15(20)16(17-2,14-9-5-7-11-19-14)12-13-8-4-6-10-18-13/h4-11,17H,3,12H2,1-2H3
InChIKeySSCFCTZCMOQGIJ-UHFFFAOYSA-N
XLogP1.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(methylamino)-2-pyridin-2-ylpropanoate
CID 60788232
diethyl 2-ethyl-2-(pyridin-2-ylmethyl)propanedioate
CID 103973006
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
ethyl 2-dimethoxyphosphoryl-2-hydroxy-3-pyridin-2-ylpropanoate
CID 19084757
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
CID 83853858
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
methyl (2R)-2-(methylamino)-2-pyridin-2-ylpropanoate
CID 93309846
ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
CID 59570548
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79471489
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
2-ethoxycarbonyl-3-methyl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 103974346

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate (CID 174613279) is ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate is CCOC(=O)C(Cc1ccccn1)(NC)c1ccccn1.
What is the InChIKey of ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate?
The InChIKey is SSCFCTZCMOQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-15(20)16(17-2,14-9-5-7-11-19-14)12-13-8-4-6-10-18-13/h4-11,17H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate?
ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate has a molecular weight of 285.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2,3-dipyridin-2-ylpropanoate is sourced from PubChem (CID 174613279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).