2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide

C13H16N4O2 — CID 55141191

IUPAC2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H16N4O2/c1-9(12(18)16-13(19)15-2)17(3)11-6-4-5-10(7-11)8-14/h4-7,9H,1-3H3,(H2,15,16,18,19)
InChIKeyIIQNZYQKZSZYMZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.84
Rot. Bonds3

About 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide

2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 55141191) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide
PubChem CID55141191
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H16N4O2/c1-9(12(18)16-13(19)15-2)17(3)11-6-4-5-10(7-11)8-14/h4-7,9H,1-3H3,(H2,15,16,18,19)
InChIKeyIIQNZYQKZSZYMZ-UHFFFAOYSA-N
XLogP0.84
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42957830
2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62982263
2-(3-cyano-N-methylanilino)-N,N-diethylpropanamide
CID 62982606
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
tris(N-(3-cyanophenyl)-N-hydroxyacetamide);hydrate
CID 71328508
3-(N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)propanoic acid
CID 60840258
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223
2-(3-cyanophenoxy)-N-methylpropanamide
CID 43085589
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
CID 79152194
1-cyano-3-[methyl(methylsulfamoyl)amino]benzene
CID 114807862

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide (CID 55141191) is 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is IIQNZYQKZSZYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(12(18)16-13(19)15-2)17(3)11-6-4-5-10(7-11)8-14/h4-7,9H,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide?
2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 55141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).