N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide

C11H19N3O — CID 79389256

IUPACN-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)C1CCNC1C
InChIInChI=1S/C11H19N3O/c1-8(6-12)7-14(3)11(15)10-4-5-13-9(10)2/h8-10,13H,4-5,7H2,1-3H3
InChIKeyOMAVBIPLQIRKSH-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.60
Rot. Bonds3

About N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide

N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 79389256) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
PubChem CID79389256
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)C1CCNC1C
InChIInChI=1S/C11H19N3O/c1-8(6-12)7-14(3)11(15)10-4-5-13-9(10)2/h8-10,13H,4-5,7H2,1-3H3
InChIKeyOMAVBIPLQIRKSH-UHFFFAOYSA-N
XLogP0.60
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-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

2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79389026
N-(2-cyanopropyl)-N-methylazepane-2-carboxamide
CID 64563051
N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79384629
2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815373
N,2-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 79389017
3-[ethyl-(2-methylpyrrolidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 79385001
N-(2-cyanopropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983268
(2R,3R)-N-ethyl-N,2-dimethylpiperidine-3-carboxamide;hydrochloride
CID 130610203
N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79384307
N-(2-cyanopropyl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876568
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 79389330

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide (CID 79389256) is N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide is CC(C#N)CN(C)C(=O)C1CCNC1C.
What is the InChIKey of N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is OMAVBIPLQIRKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(6-12)7-14(3)11(15)10-4-5-13-9(10)2/h8-10,13H,4-5,7H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide?
N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79389256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).