N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide

C11H18N4O2 — CID 55164012

IUPACN-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide
SMILESCN(CCN1CCCC1)C(=O)C(=O)NCC#N
InChIInChI=1S/C11H18N4O2/c1-14(8-9-15-6-2-3-7-15)11(17)10(16)13-5-4-12/h2-3,5-9H2,1H3,(H,13,16)
InChIKeyTUVQFTZANCETAU-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.82
Rot. Bonds4

About N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide

N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide (PubChem CID 55164012) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide
PubChem CID55164012
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide
SMILESCN(CCN1CCCC1)C(=O)C(=O)NCC#N
InChIInChI=1S/C11H18N4O2/c1-14(8-9-15-6-2-3-7-15)11(17)10(16)13-5-4-12/h2-3,5-9H2,1H3,(H,13,16)
InChIKeyTUVQFTZANCETAU-UHFFFAOYSA-N
XLogP-0.82
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 63210764
N-methyl-2-oxo-2-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63209113
N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
CID 43316269
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
3-[(2R)-2-cyanopropyl]-1-methyl-1-(3-pyrrolidin-1-ylpropyl)urea
CID 100686969
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
methyl N-methyl-N-(6-piperidin-1-ylhexyl)carbamate
CID 110459514
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide (CID 55164012) is N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide is CN(CCN1CCCC1)C(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide?
The InChIKey is TUVQFTZANCETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(8-9-15-6-2-3-7-15)11(17)10(16)13-5-4-12/h2-3,5-9H2,1H3,(H,13,16).
What are the key properties of N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide?
N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide has a molecular weight of 238.29 g/mol, XLogP of -0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide is sourced from PubChem (CID 55164012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).