3-(3,4-dicyanoanilino)propanamide

C11H10N4O — CID 107789225

IUPAC3-(3,4-dicyanoanilino)propanamide
SMILESN#Cc1ccc(NCCC(N)=O)cc1C#N
InChIInChI=1S/C11H10N4O/c12-6-8-1-2-10(5-9(8)7-13)15-4-3-11(14)16/h1-2,5,15H,3-4H2,(H2,14,16)
InChIKeyBKACBTRLEVCCEJ-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.72
Rot. Bonds4

About 3-(3,4-dicyanoanilino)propanamide

3-(3,4-dicyanoanilino)propanamide (PubChem CID 107789225) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-(3,4-dicyanoanilino)propanamide.

Molecular Properties

Compound Name3-(3,4-dicyanoanilino)propanamide
PubChem CID107789225
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-(3,4-dicyanoanilino)propanamide
SMILESN#Cc1ccc(NCCC(N)=O)cc1C#N
InChIInChI=1S/C11H10N4O/c12-6-8-1-2-10(5-9(8)7-13)15-4-3-11(14)16/h1-2,5,15H,3-4H2,(H2,14,16)
InChIKeyBKACBTRLEVCCEJ-UHFFFAOYSA-N
XLogP0.72
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-amino-3-cyanoanilino)pentanamide
CID 106234240
4-(3,4-dicyanoanilino)-N-methylbutanamide
CID 114001752
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
3-(3,4-dimethylanilino)propanamide
CID 43131963
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
ethyl 3-(3-chloro-4-cyanoanilino)propanoate
CID 43365474
4-[2-(2-methoxyethoxy)ethylamino]benzene-1,2-dicarbonitrile
CID 107789333
3-(2-amino-3-cyanoanilino)propanamide
CID 104716331
N-(3,4-dicyanophenyl)acetamide
CID 12938829

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dicyanoanilino)propanamide?
The IUPAC name of 3-(3,4-dicyanoanilino)propanamide (CID 107789225) is 3-(3,4-dicyanoanilino)propanamide.
What is the SMILES notation for 3-(3,4-dicyanoanilino)propanamide?
The canonical SMILES for 3-(3,4-dicyanoanilino)propanamide is N#Cc1ccc(NCCC(N)=O)cc1C#N.
What is the InChIKey of 3-(3,4-dicyanoanilino)propanamide?
The InChIKey is BKACBTRLEVCCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-6-8-1-2-10(5-9(8)7-13)15-4-3-11(14)16/h1-2,5,15H,3-4H2,(H2,14,16).
What are the key properties of 3-(3,4-dicyanoanilino)propanamide?
3-(3,4-dicyanoanilino)propanamide has a molecular weight of 214.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dicyanoanilino)propanamide is sourced from PubChem (CID 107789225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).