ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate

C11H17N3O3 — CID 139502832

IUPACethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1cc(C)c(OC)nc1N
InChIInChI=1S/C11H17N3O3/c1-4-17-9(15)6-13-8-5-7(2)11(16-3)14-10(8)12/h5,13H,4,6H2,1-3H3,(H2,12,14)
InChIKeyPYOSQJVRQLENAS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate

ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate (PubChem CID 139502832) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate
PubChem CID139502832
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1cc(C)c(OC)nc1N
InChIInChI=1S/C11H17N3O3/c1-4-17-9(15)6-13-8-5-7(2)11(16-3)14-10(8)12/h5,13H,4,6H2,1-3H3,(H2,12,14)
InChIKeyPYOSQJVRQLENAS-UHFFFAOYSA-N
XLogP0.96
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411
ethyl 2-(2-ethylanilino)acetate
CID 28583397

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate (CID 139502832) is ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate is CCOC(=O)CNc1cc(C)c(OC)nc1N.
What is the InChIKey of ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate?
The InChIKey is PYOSQJVRQLENAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-17-9(15)6-13-8-5-7(2)11(16-3)14-10(8)12/h5,13H,4,6H2,1-3H3,(H2,12,14).
What are the key properties of ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate?
ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-6-methoxy-5-methyl-3-pyridinyl)amino]acetate is sourced from PubChem (CID 139502832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).