methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate

C14H17N3O4 — CID 62957492

IUPACmethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H17N3O4/c1-9-5-10(2)16-14(11(9)6-15)17(7-12(18)20-3)8-13(19)21-4/h5H,7-8H2,1-4H3
InChIKeyFVFOGGNJSSMNPG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.72
Rot. Bonds5

About methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62957492) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62957492
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H17N3O4/c1-9-5-10(2)16-14(11(9)6-15)17(7-12(18)20-3)8-13(19)21-4/h5H,7-8H2,1-4H3
InChIKeyFVFOGGNJSSMNPG-UHFFFAOYSA-N
XLogP0.72
TPSA92.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62957492) is methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1nc(C)cc(C)c1C#N.
What is the InChIKey of methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is FVFOGGNJSSMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-5-10(2)16-14(11(9)6-15)17(7-12(18)20-3)8-13(19)21-4/h5H,7-8H2,1-4H3.
What are the key properties of methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 291.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62957492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).