methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate

C11H13N3O2 — CID 115487597

IUPACmethyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O2/c1-3-14(8-11(15)16-2)10-5-4-9(6-12)13-7-10/h4-5,7H,3,8H2,1-2H3
InChIKeyJIGLJWMKUOYYEO-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate

methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate (PubChem CID 115487597) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
PubChem CID115487597
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O2/c1-3-14(8-11(15)16-2)10-5-4-9(6-12)13-7-10/h4-5,7H,3,8H2,1-2H3
InChIKeyJIGLJWMKUOYYEO-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

5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
methyl 2-(3-cyano-N-ethyl-4-nitroanilino)acetate
CID 115500664
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile
CID 176963272
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
CID 107933593
N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
CID 133358596
5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133370048
methyl 2-(3-cyano-N-propylanilino)acetate
CID 102815922
methyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925404

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate (CID 115487597) is methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate is CCN(CC(=O)OC)c1ccc(C#N)nc1.
What is the InChIKey of methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate?
The InChIKey is JIGLJWMKUOYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-14(8-11(15)16-2)10-5-4-9(6-12)13-7-10/h4-5,7H,3,8H2,1-2H3.
What are the key properties of methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate?
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]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 methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate is sourced from PubChem (CID 115487597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).