N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide

C16H22N4O — CID 79309474

IUPACN-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(C#N)c1)CC1CCCN1C
InChIInChI=1S/C16H22N4O/c1-19(11-15-7-4-8-20(15)2)12-16(21)18-14-6-3-5-13(9-14)10-17/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3,(H,18,21)
InChIKeyQSUSXWGOBNYMEU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds5

About N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide

N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 79309474) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
PubChem CID79309474
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(C#N)c1)CC1CCCN1C
InChIInChI=1S/C16H22N4O/c1-19(11-15-7-4-8-20(15)2)12-16(21)18-14-6-3-5-13(9-14)10-17/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3,(H,18,21)
InChIKeyQSUSXWGOBNYMEU-UHFFFAOYSA-N
XLogP1.52
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79304499
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79313570
N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
CID 124758452
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
CID 99107009

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide (CID 79309474) is N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1cccc(C#N)c1)CC1CCCN1C.
What is the InChIKey of N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The InChIKey is QSUSXWGOBNYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(11-15-7-4-8-20(15)2)12-16(21)18-14-6-3-5-13(9-14)10-17/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 79309474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).