N-carbamoyl-2-(2-cyanoanilino)propanamide

C11H12N4O2 — CID 43086096

IUPACN-carbamoyl-2-(2-cyanoanilino)propanamide
SMILESCC(Nc1ccccc1C#N)C(=O)NC(N)=O
InChIInChI=1S/C11H12N4O2/c1-7(10(16)15-11(13)17)14-9-5-3-2-4-8(9)6-12/h2-5,7,14H,1H3,(H3,13,15,16,17)
InChIKeyWYYGNGXZWNJELM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.55
Rot. Bonds3

About N-carbamoyl-2-(2-cyanoanilino)propanamide

N-carbamoyl-2-(2-cyanoanilino)propanamide (PubChem CID 43086096) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-carbamoyl-2-(2-cyanoanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-cyanoanilino)propanamide
PubChem CID43086096
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-carbamoyl-2-(2-cyanoanilino)propanamide
SMILESCC(Nc1ccccc1C#N)C(=O)NC(N)=O
InChIInChI=1S/C11H12N4O2/c1-7(10(16)15-11(13)17)14-9-5-3-2-4-8(9)6-12/h2-5,7,14H,1H3,(H3,13,15,16,17)
InChIKeyWYYGNGXZWNJELM-UHFFFAOYSA-N
XLogP0.55
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
(2-cyanophenyl)urea
CID 13155570
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
CID 43089308
N-carbamoyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848768
2-(3-cyano-2-nitroanilino)-N-methylpropanamide
CID 113444941
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
2-(butan-2-ylamino)benzonitrile
CID 43178639
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
2-(3-cyano-2-nitroanilino)-N-(2-methylpropyl)propanamide
CID 104718038

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-cyanoanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(2-cyanoanilino)propanamide (CID 43086096) is N-carbamoyl-2-(2-cyanoanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2-cyanoanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2-cyanoanilino)propanamide is CC(Nc1ccccc1C#N)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-cyanoanilino)propanamide?
The InChIKey is WYYGNGXZWNJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7(10(16)15-11(13)17)14-9-5-3-2-4-8(9)6-12/h2-5,7,14H,1H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(2-cyanoanilino)propanamide?
N-carbamoyl-2-(2-cyanoanilino)propanamide has a molecular weight of 232.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-cyanoanilino)propanamide is sourced from PubChem (CID 43086096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).