N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

C11H20N4O — CID 60697915

IUPACN-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESN#CCCNC(=O)CNCCN1CCCC1
InChIInChI=1S/C11H20N4O/c12-4-3-5-14-11(16)10-13-6-9-15-7-1-2-8-15/h13H,1-3,5-10H2,(H,14,16)
InChIKeyNXBWBLSIQGIDKJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.30
Rot. Bonds7

About N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (PubChem CID 60697915) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
PubChem CID60697915
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESN#CCCNC(=O)CNCCN1CCCC1
InChIInChI=1S/C11H20N4O/c12-4-3-5-14-11(16)10-13-6-9-15-7-1-2-8-15/h13H,1-3,5-10H2,(H,14,16)
InChIKeyNXBWBLSIQGIDKJ-UHFFFAOYSA-N
XLogP-0.30
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586646
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587
2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60673194
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
CID 43401906
N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163698
2-(2-piperidin-1-ylethylamino)acetamide
CID 60695664
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
N-(2-cyanoethyl)-2-(morpholin-4-ylamino)acetamide
CID 83021166
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (CID 60697915) is N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is N#CCCNC(=O)CNCCN1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The InChIKey is NXBWBLSIQGIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-4-3-5-14-11(16)10-13-6-9-15-7-1-2-8-15/h13H,1-3,5-10H2,(H,14,16).
What are the key properties of N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is sourced from PubChem (CID 60697915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).