methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate

C9H9N3O2 — CID 130777634

IUPACmethyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
SMILESCOC(=O)Cc1ccnc(C#N)c1N
InChIInChI=1S/C9H9N3O2/c1-14-8(13)4-6-2-3-12-7(5-10)9(6)11/h2-3H,4,11H2,1H3
InChIKeyKXCFIEAWYUNMQJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate

methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate (PubChem CID 130777634) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
PubChem CID130777634
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
SMILESCOC(=O)Cc1ccnc(C#N)c1N
InChIInChI=1S/C9H9N3O2/c1-14-8(13)4-6-2-3-12-7(5-10)9(6)11/h2-3H,4,11H2,1H3
InChIKeyKXCFIEAWYUNMQJ-UHFFFAOYSA-N
XLogP0.25
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-amino-2-cyano-4-pyridinyl)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

methyl 2-(3-amino-2-methyl-4-pyridinyl)acetate
CID 130681269
methyl 2-(2-bromo-3-cyano-4-pyridinyl)acetate
CID 131030120
ethyl 2-(2-cyano-3-methyl-4-pyridinyl)acetate
CID 133097445
methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
CID 130867118
methyl 4-amino-2-cyanopyridine-3-carboxylate
CID 130935671
methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
CID 131074231
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
methyl 2-(2-bromo-3-hydroxy-4-pyridinyl)acetate
CID 54401344
methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
methyl 2-[2-(2-cyanophenoxy)-3-fluoro-4-pyridinyl]acetate
CID 167796916
methyl 2-[6-cyano-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097358

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate?
The IUPAC name of methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate (CID 130777634) is methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate?
The canonical SMILES for methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate is COC(=O)Cc1ccnc(C#N)c1N.
What is the InChIKey of methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate?
The InChIKey is KXCFIEAWYUNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-8(13)4-6-2-3-12-7(5-10)9(6)11/h2-3H,4,11H2,1H3.
What are the key properties of methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate?
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate has a molecular weight of 191.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate is sourced from PubChem (CID 130777634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).