ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate

C12H19N3O2 — CID 114051236

IUPACethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1nccc(C)c1N
InChIInChI=1S/C12H19N3O2/c1-4-15(8-10(16)17-5-2)12-11(13)9(3)6-7-14-12/h6-7H,4-5,8,13H2,1-3H3
InChIKeyZBTHLOKMCXLABN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.36
Rot. Bonds5

About ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate

ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate (PubChem CID 114051236) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
PubChem CID114051236
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1nccc(C)c1N
InChIInChI=1S/C12H19N3O2/c1-4-15(8-10(16)17-5-2)12-11(13)9(3)6-7-14-12/h6-7H,4-5,8,13H2,1-3H3
InChIKeyZBTHLOKMCXLABN-UHFFFAOYSA-N
XLogP1.36
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(4-amino-N-ethylanilino)acetate
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ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-ethylamino]acetate
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ethyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925746
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
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ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
ethyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
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ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
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2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate (CID 114051236) is ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate is CCOC(=O)CN(CC)c1nccc(C)c1N.
What is the InChIKey of ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate?
The InChIKey is ZBTHLOKMCXLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-15(8-10(16)17-5-2)12-11(13)9(3)6-7-14-12/h6-7H,4-5,8,13H2,1-3H3.
What are the key properties of ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate?
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate is sourced from PubChem (CID 114051236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).