ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate

C13H15N3O2 — CID 64587416

IUPACethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(c1cccc(C#N)n1)C1CC1
InChIInChI=1S/C13H15N3O2/c1-2-18-13(17)9-16(11-6-7-11)12-5-3-4-10(8-14)15-12/h3-5,11H,2,6-7,9H2,1H3
InChIKeyUERKTIKWOLBGNE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate

ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate (PubChem CID 64587416) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
PubChem CID64587416
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(c1cccc(C#N)n1)C1CC1
InChIInChI=1S/C13H15N3O2/c1-2-18-13(17)9-16(11-6-7-11)12-5-3-4-10(8-14)15-12/h3-5,11H,2,6-7,9H2,1H3
InChIKeyUERKTIKWOLBGNE-UHFFFAOYSA-N
XLogP1.49
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate 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

6-[cyclopropyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 64587411
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-2-carbonitrile
CID 64596117
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 133392631
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136989680
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
CID 81285843
ethyl 2-(3-bromo-4-cyano-N-cyclopropylanilino)acetate
CID 107276176
2-[cyclopropyl-(6-methyl-2-pyridinyl)amino]acetic acid
CID 83833314
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
CID 66329484
ethyl 3-[(6-cyano-2-pyridinyl)amino]propanoate
CID 64589745

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate (CID 64587416) is ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate is CCOC(=O)CN(c1cccc(C#N)n1)C1CC1.
What is the InChIKey of ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate?
The InChIKey is UERKTIKWOLBGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-13(17)9-16(11-6-7-11)12-5-3-4-10(8-14)15-12/h3-5,11H,2,6-7,9H2,1H3.
What are the key properties of ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate?
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate is sourced from PubChem (CID 64587416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).