2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide

C23H24N6O2 — CID 166192867

IUPAC2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCCC2NC(=O)CNc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H24N6O2/c24-12-16-4-8-18(9-5-16)26-14-22(30)28-20-2-1-3-21(20)29-23(31)15-27-19-10-6-17(13-25)7-11-19/h4-11,20-21,26-27H,1-3,14-15H2,(H,28,30)(H,29,31)
InChIKeyYZYLHPHBGXGYBI-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.11
Rot. Bonds8

About 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide

2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide (PubChem CID 166192867) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide
PubChem CID166192867
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide
SMILESN#Cc1ccc(NCC(=O)NC2CCCC2NC(=O)CNc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H24N6O2/c24-12-16-4-8-18(9-5-16)26-14-22(30)28-20-2-1-3-21(20)29-23(31)15-27-19-10-6-17(13-25)7-11-19/h4-11,20-21,26-27H,1-3,14-15H2,(H,28,30)(H,29,31)
InChIKeyYZYLHPHBGXGYBI-UHFFFAOYSA-N
XLogP2.11
TPSA129.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25467388
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
2-(4-cyanoanilino)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 129381583
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(4-cyanoanilino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
CID 126836517
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
2-[(4-cyanoanilino)methyl]prop-2-enoic acid
CID 103235627
7-[4-(4-cyanophenyl)phenyl]-N-[2-[7-[4-(4-cyanophenyl)phenyl]heptanoylamino]cyclohexyl]heptanamide
CID 20670437
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996
[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265471

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide (CID 166192867) is 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide is N#Cc1ccc(NCC(=O)NC2CCCC2NC(=O)CNc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide?
The InChIKey is YZYLHPHBGXGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-12-16-4-8-18(9-5-16)26-14-22(30)28-20-2-1-3-21(20)29-23(31)15-27-19-10-6-17(13-25)7-11-19/h4-11,20-21,26-27H,1-3,14-15H2,(H,28,30)(H,29,31).
What are the key properties of 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide?
2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-[[2-(4-cyanoanilino)acetyl]amino]cyclopentyl]acetamide is sourced from PubChem (CID 166192867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).