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

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

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Launch Full Analysis

Related Compounds

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-cyclopentylamino]acetic acid
CID 60839000
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
methyl 4-[(5-cyano-4,6-dimethyl-2-pyridinyl)amino]-4-oxobutanoate
CID 123856199
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103724912
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 79389955
2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 61176862
methyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)-propan-2-ylamino]acetate
CID 55006851
N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
CID 740893
N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
CID 807311
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108432
2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 54978706

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).