methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate

C10H11N3O2 — CID 55028439

IUPACmethyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1ncccc1C#N
InChIInChI=1S/C10H11N3O2/c1-15-9(14)4-6-13-10-8(7-11)3-2-5-12-10/h2-3,5H,4,6H2,1H3,(H,12,13)
InChIKeyTZMXGGCAFIPHJU-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.93
Rot. Bonds4

About methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate

methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate (PubChem CID 55028439) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
PubChem CID55028439
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1ncccc1C#N
InChIInChI=1S/C10H11N3O2/c1-15-9(14)4-6-13-10-8(7-11)3-2-5-12-10/h2-3,5H,4,6H2,1H3,(H,12,13)
InChIKeyTZMXGGCAFIPHJU-UHFFFAOYSA-N
XLogP0.93
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate (CID 55028439) is methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate is COC(=O)CCNc1ncccc1C#N.
What is the InChIKey of methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate?
The InChIKey is TZMXGGCAFIPHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-9(14)4-6-13-10-8(7-11)3-2-5-12-10/h2-3,5H,4,6H2,1H3,(H,12,13).
What are the key properties of methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate?
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate has a molecular weight of 205.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 55028439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).