ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate

C11H14N4O2 — CID 54960433

IUPACethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncc(N)cc1C#N
InChIInChI=1S/C11H14N4O2/c1-3-17-11(16)7(2)15-10-8(5-12)4-9(13)6-14-10/h4,6-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyWFNKMSNHAPAFBA-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.90
Rot. Bonds4

About ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate

ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate (PubChem CID 54960433) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate
PubChem CID54960433
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Nameethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncc(N)cc1C#N
InChIInChI=1S/C11H14N4O2/c1-3-17-11(16)7(2)15-10-8(5-12)4-9(13)6-14-10/h4,6-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyWFNKMSNHAPAFBA-UHFFFAOYSA-N
XLogP0.90
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile
CID 83177474
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
tert-butyl N-[3-[(5-amino-3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517940
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54860605
5-amino-2-[1-(oxan-4-yl)ethylamino]pyridine-3-carbonitrile
CID 114115069
5-amino-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 107845850
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54954353

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate (CID 54960433) is ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate is CCOC(=O)C(C)Nc1ncc(N)cc1C#N.
What is the InChIKey of ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate?
The InChIKey is WFNKMSNHAPAFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-17-11(16)7(2)15-10-8(5-12)4-9(13)6-14-10/h4,6-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate?
ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate has a molecular weight of 234.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 54960433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).