N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide

C16H22N4O — CID 63207235

IUPACN-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCN(CCN1CCCC1)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N4O/c1-19(10-11-20-8-4-5-9-20)13-16(21)18-15-7-3-2-6-14(15)12-17/h2-3,6-7H,4-5,8-11,13H2,1H3,(H,18,21)
InChIKeyIQQHCMJBHAUDLZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds6

About N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide

N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide (PubChem CID 63207235) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
PubChem CID63207235
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCN(CCN1CCCC1)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N4O/c1-19(10-11-20-8-4-5-9-20)13-16(21)18-15-7-3-2-6-14(15)12-17/h2-3,6-7H,4-5,8-11,13H2,1H3,(H,18,21)
InChIKeyIQQHCMJBHAUDLZ-UHFFFAOYSA-N
XLogP1.52
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 75392697
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
N-(2-cyanophenyl)-2-[methyl-(2-methylcyclohexyl)amino]acetamide
CID 60733325
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide (CID 63207235) is N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide is CN(CCN1CCCC1)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
The InChIKey is IQQHCMJBHAUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(10-11-20-8-4-5-9-20)13-16(21)18-15-7-3-2-6-14(15)12-17/h2-3,6-7H,4-5,8-11,13H2,1H3,(H,18,21).
What are the key properties of N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 63207235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).