ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate

C11H13N3O2 — CID 55210694

IUPACethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ccnc(C#N)c1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8-14(2)10-4-5-13-9(6-10)7-12/h4-6H,3,8H2,1-2H3
InChIKeyHBPFTTDHVVCCSH-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.95
Rot. Bonds4

About ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate

ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate (PubChem CID 55210694) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
PubChem CID55210694
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ccnc(C#N)c1
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)8-14(2)10-4-5-13-9(6-10)7-12/h4-6H,3,8H2,1-2H3
InChIKeyHBPFTTDHVVCCSH-UHFFFAOYSA-N
XLogP0.95
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62005214
2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
CID 62936241
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate (CID 55210694) is ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate is CCOC(=O)CN(C)c1ccnc(C#N)c1.
What is the InChIKey of ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate?
The InChIKey is HBPFTTDHVVCCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)8-14(2)10-4-5-13-9(6-10)7-12/h4-6H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate?
ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate has a molecular weight of 219.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate is sourced from PubChem (CID 55210694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).