N-(3,4-dicyanophenyl)pentanamide

C13H13N3O — CID 113240271

IUPACN-(3,4-dicyanophenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H13N3O/c1-2-3-4-13(17)16-12-6-5-10(8-14)11(7-12)9-15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyVEAZBUKDTBDIEL-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.56
Rot. Bonds4

About N-(3,4-dicyanophenyl)pentanamide

N-(3,4-dicyanophenyl)pentanamide (PubChem CID 113240271) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)pentanamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)pentanamide
PubChem CID113240271
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(3,4-dicyanophenyl)pentanamide
SMILESCCCCC(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H13N3O/c1-2-3-4-13(17)16-12-6-5-10(8-14)11(7-12)9-15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyVEAZBUKDTBDIEL-UHFFFAOYSA-N
XLogP2.56
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3,4-dicyanophenyl)pentanamide
CID 114014947
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(3,4-dicyanophenyl)acetamide
CID 12938829
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582
4-(3,4-dicyanoanilino)-N-methylbutanamide
CID 114001752
N-(3-cyanophenyl)octanamide
CID 4958584
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]pentanamide
CID 104780807
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)pentanamide?
The IUPAC name of N-(3,4-dicyanophenyl)pentanamide (CID 113240271) is N-(3,4-dicyanophenyl)pentanamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)pentanamide?
The canonical SMILES for N-(3,4-dicyanophenyl)pentanamide is CCCCC(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of N-(3,4-dicyanophenyl)pentanamide?
The InChIKey is VEAZBUKDTBDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-3-4-13(17)16-12-6-5-10(8-14)11(7-12)9-15/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(3,4-dicyanophenyl)pentanamide?
N-(3,4-dicyanophenyl)pentanamide has a molecular weight of 227.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)pentanamide is sourced from PubChem (CID 113240271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).