ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate

C13H19N5O2 — CID 66189937

IUPACethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(C)(NCCCN=[N+]=[N-])c1cccnc1
InChIInChI=1S/C13H19N5O2/c1-3-20-12(19)13(2,11-6-4-7-15-10-11)16-8-5-9-17-18-14/h4,6-7,10,16H,3,5,8-9H2,1-2H3
InChIKeySCKHUFPGZZRIES-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.15
Rot. Bonds8

About ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate

ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate (PubChem CID 66189937) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
PubChem CID66189937
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(C)(NCCCN=[N+]=[N-])c1cccnc1
InChIInChI=1S/C13H19N5O2/c1-3-20-12(19)13(2,11-6-4-7-15-10-11)16-8-5-9-17-18-14/h4,6-7,10,16H,3,5,8-9H2,1-2H3
InChIKeySCKHUFPGZZRIES-UHFFFAOYSA-N
XLogP2.15
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.15
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-(3-azidopropylamino)-2-pyridin-3-ylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
ethyl 2-(3-azidopropylamino)-2-(2-bromophenyl)propanoate
CID 66190529
ethyl 2-(2-azidoethylamino)-2-(3,4-dimethylphenyl)propanoate
CID 66189056
ethyl 2-(2-azidoethylamino)-2-pyridin-2-ylpropanoate
CID 66189843
ethyl 2-(2-azidoethylamino)-2-(4-methylsulfanylphenyl)propanoate
CID 66191230
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 66188847
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
2-(2-methoxyethylamino)-2-pyridin-3-ylpropanamide
CID 62540330
2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
CID 114083108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate (CID 66189937) is ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate is CCOC(=O)C(C)(NCCCN=[N+]=[N-])c1cccnc1.
What is the InChIKey of ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate?
The InChIKey is SCKHUFPGZZRIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-3-20-12(19)13(2,11-6-4-7-15-10-11)16-8-5-9-17-18-14/h4,6-7,10,16H,3,5,8-9H2,1-2H3.
What are the key properties of ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate?
ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate has a molecular weight of 277.33 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 66189937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).