ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate

C13H16N4O2 — CID 114719027

IUPACethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H16N4O2/c1-2-19-13(18)4-6-17-9-15-8-11(17)10-3-5-16-12(14)7-10/h3,5,7-9H,2,4,6H2,1H3,(H2,14,16)
InChIKeyUPAGLKSVPRWIKT-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.48
Rot. Bonds5

About ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate

ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate (PubChem CID 114719027) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
PubChem CID114719027
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
SMILESCCOC(=O)CCn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H16N4O2/c1-2-19-13(18)4-6-17-9-15-8-11(17)10-3-5-16-12(14)7-10/h3,5,7-9H,2,4,6H2,1H3,(H2,14,16)
InChIKeyUPAGLKSVPRWIKT-UHFFFAOYSA-N
XLogP1.48
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate (CID 114719027) is ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate is CCOC(=O)CCn1cncc1-c1ccnc(N)c1.
What is the InChIKey of ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate?
The InChIKey is UPAGLKSVPRWIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-13(18)4-6-17-9-15-8-11(17)10-3-5-16-12(14)7-10/h3,5,7-9H,2,4,6H2,1H3,(H2,14,16).
What are the key properties of ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate?
ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate has a molecular weight of 260.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate is sourced from PubChem (CID 114719027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).