2,4-dicyano-3-ethylpentanediamide

C9H12N4O2 — CID 10013275

IUPAC2,4-dicyano-3-ethylpentanediamide
SMILESCCC(C(C#N)C(N)=O)C(C#N)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-2-5(6(3-10)8(12)14)7(4-11)9(13)15/h5-7H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeySKZZRGWYEGOUAN-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.74
Rot. Bonds5

About 2,4-dicyano-3-ethylpentanediamide

2,4-dicyano-3-ethylpentanediamide (PubChem CID 10013275) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,4-dicyano-3-ethylpentanediamide.

Molecular Properties

Compound Name2,4-dicyano-3-ethylpentanediamide
PubChem CID10013275
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2,4-dicyano-3-ethylpentanediamide
SMILESCCC(C(C#N)C(N)=O)C(C#N)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-2-5(6(3-10)8(12)14)7(4-11)9(13)15/h5-7H,2H2,1H3,(H2,12,14)(H2,13,15)
InChIKeySKZZRGWYEGOUAN-UHFFFAOYSA-N
XLogP-0.74
TPSA133.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2,4-dicyano-3-propylpentanediamide
CID 92532958
3,3-dichloro-2-cyanopropanamide
CID 175353061
2-cyano-3-oxopentanamide
CID 174475780
5-cyano-2-ethylhexanamide
CID 88878026
2,3-dicyano-4-ethoxy-4-oxobutanoic acid
CID 90947432
2-ethylpropane-1,1,3,3-tetracarbonitrile
CID 14615450
ethyl 2-cyano-3,4-dimethyl-5-oxohexanoate
CID 121223182
2,5-diamino-2,4-dicyano-3-methyl-5-oxopentanoic acid
CID 130363740
(2-cyanobutanoylamino)urea
CID 14198973
methyl 2-cyano-3-propan-2-ylhexanoate
CID 54152185
2-acetyl-3-methyl-4-oxopentanenitrile
CID 59930332
(2S)-2-amino-3-(1-cyanopropylsulfanyl)propanoic acid
CID 107773329

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyano-3-ethylpentanediamide?
The IUPAC name of 2,4-dicyano-3-ethylpentanediamide (CID 10013275) is 2,4-dicyano-3-ethylpentanediamide.
What is the SMILES notation for 2,4-dicyano-3-ethylpentanediamide?
The canonical SMILES for 2,4-dicyano-3-ethylpentanediamide is CCC(C(C#N)C(N)=O)C(C#N)C(N)=O.
What is the InChIKey of 2,4-dicyano-3-ethylpentanediamide?
The InChIKey is SKZZRGWYEGOUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-5(6(3-10)8(12)14)7(4-11)9(13)15/h5-7H,2H2,1H3,(H2,12,14)(H2,13,15).
What are the key properties of 2,4-dicyano-3-ethylpentanediamide?
2,4-dicyano-3-ethylpentanediamide has a molecular weight of 208.22 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyano-3-ethylpentanediamide is sourced from PubChem (CID 10013275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).