N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide

C13H23N3O — CID 55164387

IUPACN-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC(CC)CC#N)CCNC1
InChIInChI=1S/C13H23N3O/c1-3-6-13(7-9-15-10-13)12(17)16-11(4-2)5-8-14/h11,15H,3-7,9-10H2,1-2H3,(H,16,17)
InChIKeyQLUCMYGJANWKRO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds6

About N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide

N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 55164387) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID55164387
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC(CC)CC#N)CCNC1
InChIInChI=1S/C13H23N3O/c1-3-6-13(7-9-15-10-13)12(17)16-11(4-2)5-8-14/h11,15H,3-7,9-10H2,1-2H3,(H,16,17)
InChIKeyQLUCMYGJANWKRO-UHFFFAOYSA-N
XLogP1.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide 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

(3S)-3-methyl-2,8-diazaspiro(4.5)decan-1-one
CID 124672489
2-Isopropyl-2,7-diazaspiro[4.5]decan-1-one
CID 45074134
US10654853, Example 82
CID 137378551
8-Methyl-6-oxo-2,7-diazaspiro[4.4]nonane-2-carbonitrile
CID 163407658
US11236092, Example 83
CID 163407659
(2R,3R)-2-methyl-5-oxopyrrolidine-3-carbonitrile
CID 166437847
N-(1-cyanobutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227655
N-pentan-3-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63143760
N-propan-2-yl-3-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63144018
N-(2-cyanocyclopentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63721164
3-propyl-N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-3-carboxamide
CID 105937734
N-(1-cyano-2-methylpropyl)-3,4,4-trimethylpentanamide
CID 63940823

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide (CID 55164387) is N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC(CC)CC#N)CCNC1.
What is the InChIKey of N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is QLUCMYGJANWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-13(7-9-15-10-13)12(17)16-11(4-2)5-8-14/h11,15H,3-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide?
N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55164387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).