N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide

C11H20N4O — CID 63301635

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CCC#N)C(=O)CN(C)C1CCNC1
InChIInChI=1S/C11H20N4O/c1-14(7-3-5-12)11(16)9-15(2)10-4-6-13-8-10/h10,13H,3-4,6-9H2,1-2H3
InChIKeyLPQKQTDFEAPZDH-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63301635) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63301635
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
SMILESCN(CCC#N)C(=O)CN(C)C1CCNC1
InChIInChI=1S/C11H20N4O/c1-14(7-3-5-12)11(16)9-15(2)10-4-6-13-8-10/h10,13H,3-4,6-9H2,1-2H3
InChIKeyLPQKQTDFEAPZDH-UHFFFAOYSA-N
XLogP-0.35
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717113
4-[methyl(pyrrolidin-3-yl)amino]butanenitrile
CID 63301779
N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 86910482
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301471
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071
N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
CID 113223487
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
CID 63301426
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
N-(2-cyanoethyl)-2-(cyclopentylmethoxy)-N-methylacetamide
CID 66324117
N-(2-cyanoethyl)-2-(cyclopropylmethoxy)-N-methylacetamide
CID 43289622

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide (CID 63301635) is N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide is CN(CCC#N)C(=O)CN(C)C1CCNC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is LPQKQTDFEAPZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14(7-3-5-12)11(16)9-15(2)10-4-6-13-8-10/h10,13H,3-4,6-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 224.31 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63301635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).