5-(4-amino-3-cyanoanilino)pentanamide

C12H16N4O — CID 106234240

IUPAC5-(4-amino-3-cyanoanilino)pentanamide
SMILESN#Cc1cc(NCCCCC(N)=O)ccc1N
InChIInChI=1S/C12H16N4O/c13-8-9-7-10(4-5-11(9)14)16-6-2-1-3-12(15)17/h4-5,7,16H,1-3,6,14H2,(H2,15,17)
InChIKeyWFDINWBBCGZCAV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.21
Rot. Bonds6

About 5-(4-amino-3-cyanoanilino)pentanamide

5-(4-amino-3-cyanoanilino)pentanamide (PubChem CID 106234240) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(4-amino-3-cyanoanilino)pentanamide.

Molecular Properties

Compound Name5-(4-amino-3-cyanoanilino)pentanamide
PubChem CID106234240
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(4-amino-3-cyanoanilino)pentanamide
SMILESN#Cc1cc(NCCCCC(N)=O)ccc1N
InChIInChI=1S/C12H16N4O/c13-8-9-7-10(4-5-11(9)14)16-6-2-1-3-12(15)17/h4-5,7,16H,1-3,6,14H2,(H2,15,17)
InChIKeyWFDINWBBCGZCAV-UHFFFAOYSA-N
XLogP1.21
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
3-(3,4-dicyanoanilino)propanamide
CID 107789225
2-amino-5-(4-hydroxypentylamino)benzonitrile
CID 106119857
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-amino-5-(4-methylpentylamino)benzonitrile
CID 115499455
2-amino-5-(3-phenylpropylamino)benzonitrile
CID 115499167
5-(2-amino-4-cyanoanilino)pentanamide
CID 106234043
2-(4-amino-3-cyanoanilino)-N-propylacetamide
CID 113323851
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-cyanoanilino)pentanamide?
The IUPAC name of 5-(4-amino-3-cyanoanilino)pentanamide (CID 106234240) is 5-(4-amino-3-cyanoanilino)pentanamide.
What is the SMILES notation for 5-(4-amino-3-cyanoanilino)pentanamide?
The canonical SMILES for 5-(4-amino-3-cyanoanilino)pentanamide is N#Cc1cc(NCCCCC(N)=O)ccc1N.
What is the InChIKey of 5-(4-amino-3-cyanoanilino)pentanamide?
The InChIKey is WFDINWBBCGZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-8-9-7-10(4-5-11(9)14)16-6-2-1-3-12(15)17/h4-5,7,16H,1-3,6,14H2,(H2,15,17).
What are the key properties of 5-(4-amino-3-cyanoanilino)pentanamide?
5-(4-amino-3-cyanoanilino)pentanamide has a molecular weight of 232.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-cyanoanilino)pentanamide is sourced from PubChem (CID 106234240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).