ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate

C12H17N5O2 — CID 66189843

IUPACethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(C)(NCCN=[N+]=[N-])c1ccccn1
InChIInChI=1S/C12H17N5O2/c1-3-19-11(18)12(2,15-8-9-16-17-13)10-6-4-5-7-14-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyRYHIUUPOHVYTHA-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.76
Rot. Bonds7

About ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate

ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate (PubChem CID 66189843) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate
PubChem CID66189843
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Nameethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(C)(NCCN=[N+]=[N-])c1ccccn1
InChIInChI=1S/C12H17N5O2/c1-3-19-11(18)12(2,15-8-9-16-17-13)10-6-4-5-7-14-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyRYHIUUPOHVYTHA-UHFFFAOYSA-N
XLogP1.76
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate (CID 66189843) is ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate is CCOC(=O)C(C)(NCCN=[N+]=[N-])c1ccccn1.
What is the InChIKey of ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate?
The InChIKey is RYHIUUPOHVYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-19-11(18)12(2,15-8-9-16-17-13)10-6-4-5-7-14-10/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate?
ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate has a molecular weight of 263.30 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 66189843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).