2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide

C13H23N3O — CID 63210764

IUPAC2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
SMILESCCCC(C#N)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C13H23N3O/c1-3-6-12(11-14)13(17)15(2)9-10-16-7-4-5-8-16/h12H,3-10H2,1-2H3
InChIKeyHELJBLXSXWTYLD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.48
Rot. Bonds6

About 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide

2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide (PubChem CID 63210764) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
PubChem CID63210764
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
SMILESCCCC(C#N)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C13H23N3O/c1-3-6-12(11-14)13(17)15(2)9-10-16-7-4-5-8-16/h12H,3-10H2,1-2H3
InChIKeyHELJBLXSXWTYLD-UHFFFAOYSA-N
XLogP1.48
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide
CID 55164012
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
(2R)-N-methyl-N-propyl-2-pyrrolidin-1-ylpentanamide
CID 91382009
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
CID 119072009
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 146274345
5-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 82851299
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
2-(cyclooctanecarbonyl)pentanenitrile
CID 79405801
2-amino-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83534311

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The IUPAC name of 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide (CID 63210764) is 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide is CCCC(C#N)C(=O)N(C)CCN1CCCC1.
What is the InChIKey of 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The InChIKey is HELJBLXSXWTYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-12(11-14)13(17)15(2)9-10-16-7-4-5-8-16/h12H,3-10H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide has a molecular weight of 237.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide is sourced from PubChem (CID 63210764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).