2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide

C16H22N4O — CID 126836517

IUPAC2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
SMILESCN1CCCC1CCNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C16H22N4O/c1-20-10-2-3-15(20)8-9-18-16(21)12-19-14-6-4-13(11-17)5-7-14/h4-7,15,19H,2-3,8-10,12H2,1H3,(H,18,21)
InChIKeyNMIHZMUDBJZHTO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.57
Rot. Bonds6

About 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide

2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide (PubChem CID 126836517) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
PubChem CID126836517
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
SMILESCN1CCCC1CCNC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C16H22N4O/c1-20-10-2-3-15(20)8-9-18-16(21)12-19-14-6-4-13(11-17)5-7-14/h4-7,15,19H,2-3,8-10,12H2,1H3,(H,18,21)
InChIKeyNMIHZMUDBJZHTO-UHFFFAOYSA-N
XLogP1.57
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
2-(4-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 47117865
2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide
CID 166192867
4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126447434
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 99919601
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
CID 124671707

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide (CID 126836517) is 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide is CN1CCCC1CCNC(=O)CNc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?
The InChIKey is NMIHZMUDBJZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20-10-2-3-15(20)8-9-18-16(21)12-19-14-6-4-13(11-17)5-7-14/h4-7,15,19H,2-3,8-10,12H2,1H3,(H,18,21).
What are the key properties of 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide?
2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 126836517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).