N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide

C13H24N4O — CID 79314480

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)N(C)CCC#N)CC1CCCN1C
InChIInChI=1S/C13H24N4O/c1-15(10-12-6-4-8-16(12)2)11-13(18)17(3)9-5-7-14/h12H,4-6,8-11H2,1-3H3
InChIKeyOFQLCUZWACFKKS-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.38
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 79314480) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
PubChem CID79314480
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)N(C)CCC#N)CC1CCCN1C
InChIInChI=1S/C13H24N4O/c1-15(10-12-6-4-8-16(12)2)11-13(18)17(3)9-5-7-14/h12H,4-6,8-11H2,1-3H3
InChIKeyOFQLCUZWACFKKS-UHFFFAOYSA-N
XLogP0.38
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide (CID 79314480) is N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide is CN(CC(=O)N(C)CCC#N)CC1CCCN1C.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The InChIKey is OFQLCUZWACFKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-15(10-12-6-4-8-16(12)2)11-13(18)17(3)9-5-7-14/h12H,4-6,8-11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 79314480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).