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

C9H13N3O2 — CID 104533108

IUPACethyl 2-[(5-amino-3-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1cncc(N)c1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)6-12-8-3-7(10)4-11-5-8/h3-5,12H,2,6,10H2,1H3
InChIKeyJCOFOQQTRVUJLF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.64
Rot. Bonds4

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

ethyl 2-[(5-amino-3-pyridinyl)amino]acetate (PubChem CID 104533108) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-[(5-amino-3-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-3-pyridinyl)amino]acetate
PubChem CID104533108
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-[(5-amino-3-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1cncc(N)c1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)6-12-8-3-7(10)4-11-5-8/h3-5,12H,2,6,10H2,1H3
InChIKeyJCOFOQQTRVUJLF-UHFFFAOYSA-N
XLogP0.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-3-pyridinyl)amino]-N-tert-butylacetamide
CID 104535517
ethyl 2-(3-amino-5-methoxyanilino)acetate
CID 80730548
5-N-ethylpyridine-3,5-diamine
CID 104532571
ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114391976
ethyl 2-(3,5-dihydroxyanilino)acetate
CID 165356173
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
3-[(5-amino-3-pyridinyl)amino]-2,2-dimethylpropan-1-ol
CID 104535524
1-[(5-amino-3-pyridinyl)amino]-2-methylpentan-2-ol
CID 106296397
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
ethyl 2-(3,4-dihydroxyanilino)acetate
CID 22630378
ethyl 2-(3,4-dimethylanilino)acetate;hydrochloride
CID 163328951
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-3-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-amino-3-pyridinyl)amino]acetate (CID 104533108) is ethyl 2-[(5-amino-3-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-3-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-3-pyridinyl)amino]acetate is CCOC(=O)CNc1cncc(N)c1.
What is the InChIKey of ethyl 2-[(5-amino-3-pyridinyl)amino]acetate?
The InChIKey is JCOFOQQTRVUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)6-12-8-3-7(10)4-11-5-8/h3-5,12H,2,6,10H2,1H3.
What are the key properties of ethyl 2-[(5-amino-3-pyridinyl)amino]acetate?
ethyl 2-[(5-amino-3-pyridinyl)amino]acetate has a molecular weight of 195.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-3-pyridinyl)amino]acetate is sourced from PubChem (CID 104533108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).