2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide

C11H14N4O — CID 43518183

IUPAC2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C#N)cc1N
InChIInChI=1S/C11H14N4O/c1-14-11(16)7-15(2)10-4-3-8(6-12)5-9(10)13/h3-5H,7,13H2,1-2H3,(H,14,16)
InChIKeyLHNWEFVVXAYBRA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide

2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide (PubChem CID 43518183) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
PubChem CID43518183
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C#N)cc1N
InChIInChI=1S/C11H14N4O/c1-14-11(16)7-15(2)10-4-3-8(6-12)5-9(10)13/h3-5H,7,13H2,1-2H3,(H,14,16)
InChIKeyLHNWEFVVXAYBRA-UHFFFAOYSA-N
XLogP0.32
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-fluoro-N-methylanilino)-N-methylacetamide
CID 43657341
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
3-amino-4-[methyl(propyl)amino]benzonitrile
CID 43518165
3-amino-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 79850532
2-[2-amino-5-(dimethylsulfamoyl)-N-methylanilino]-N-methylacetamide
CID 82900151
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-(2-bromo-4-cyano-N-propylanilino)-N-methylacetamide
CID 82797275
2-(4-cyano-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 55005001
2-[(2-amino-4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 64900206
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylacetamide
CID 103467546
3-amino-4-[(4-bromophenyl)methyl-methylamino]benzonitrile
CID 61415342
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide (CID 43518183) is 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide is CNC(=O)CN(C)c1ccc(C#N)cc1N.
What is the InChIKey of 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide?
The InChIKey is LHNWEFVVXAYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-11(16)7-15(2)10-4-3-8(6-12)5-9(10)13/h3-5H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide?
2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide has a molecular weight of 218.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide is sourced from PubChem (CID 43518183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).