ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate

C13H19N3O3 — CID 62005214

IUPACethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-5-19-12(17)9-16(4)10-6-7-14-11(8-10)13(18)15(2)3/h6-8H,5,9H2,1-4H3
InChIKeyMZFGAOYRNLWUKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.78
Rot. Bonds5

About ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate

ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate (PubChem CID 62005214) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
PubChem CID62005214
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-5-19-12(17)9-16(4)10-6-7-14-11(8-10)13(18)15(2)3/h6-8H,5,9H2,1-4H3
InChIKeyMZFGAOYRNLWUKQ-UHFFFAOYSA-N
XLogP0.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
CID 62005920
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115257264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate (CID 62005214) is ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate is CCOC(=O)CN(C)c1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
The InChIKey is MZFGAOYRNLWUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-19-12(17)9-16(4)10-6-7-14-11(8-10)13(18)15(2)3/h6-8H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate has a molecular weight of 265.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate is sourced from PubChem (CID 62005214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).