ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate

C11H13N3O2 — CID 64589745

IUPACethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1cccc(C#N)n1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)6-7-13-10-5-3-4-9(8-12)14-10/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyHJFCOWRGKZKJCC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.32
Rot. Bonds5

About ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate

ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate (PubChem CID 64589745) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
PubChem CID64589745
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)CCNc1cccc(C#N)n1
InChIInChI=1S/C11H13N3O2/c1-2-16-11(15)6-7-13-10-5-3-4-9(8-12)14-10/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyHJFCOWRGKZKJCC-UHFFFAOYSA-N
XLogP1.32
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
methyl 2-[(6-cyano-2-pyridinyl)amino]acetate
CID 64589954
ethyl 4-[(6-methyl-2-pyridinyl)amino]butanoate
CID 64579139
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
ethyl 2-[2-[[(6-cyano-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]acetate
CID 154844984
ethyl 2-[[(6-cyano-2-pyridinyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 154834049
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-(3-cyano-2-nitroanilino)propanoate
CID 113444888

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate (CID 64589745) is ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate is CCOC(=O)CCNc1cccc(C#N)n1.
What is the InChIKey of ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate?
The InChIKey is HJFCOWRGKZKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-11(15)6-7-13-10-5-3-4-9(8-12)14-10/h3-5H,2,6-7H2,1H3,(H,13,14).
What are the key properties of ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate?
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 64589745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).