N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

C26H23N5O5 — CID 166426211

IUPACN-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
SMILESN#Cc1ccc2c(c1)CCCC2NC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H23N5O5/c27-12-14-7-8-16-15(11-14)3-1-5-18(16)29-22(33)13-28-19-6-2-4-17-23(19)26(36)31(25(17)35)20-9-10-21(32)30-24(20)34/h2,4,6-8,11,18,20,28H,1,3,5,9-10,13H2,(H,29,33)(H,30,32,34)
InChIKeyJBRQPZLSICXTOW-UHFFFAOYSA-N
MW485.50 g/mol
LogP1.57
Rot. Bonds5

About N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide (PubChem CID 166426211) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
PubChem CID166426211
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC NameN-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
SMILESN#Cc1ccc2c(c1)CCCC2NC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H23N5O5/c27-12-14-7-8-16-15(11-14)3-1-5-18(16)29-22(33)13-28-19-6-2-4-17-23(19)26(36)31(25(17)35)20-9-10-21(32)30-24(20)34/h2,4,6-8,11,18,20,28H,1,3,5,9-10,13H2,(H,29,33)(H,30,32,34)
InChIKeyJBRQPZLSICXTOW-UHFFFAOYSA-N
XLogP1.57
TPSA148.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166426119
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
N-(1-benzofuran-4-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
CID 166426233
4-[1-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-3-fluorophenyl]methyl]azetidin-3-yl]benzonitrile
CID 146195568
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-hydroxypentanamide
CID 155292111
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 175333442
4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167815833
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;hydrochloride
CID 162642736
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
The IUPAC name of N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide (CID 166426211) is N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide.
What is the SMILES notation for N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
The canonical SMILES for N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide is N#Cc1ccc2c(c1)CCCC2NC(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
The InChIKey is JBRQPZLSICXTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5/c27-12-14-7-8-16-15(11-14)3-1-5-18(16)29-22(33)13-28-19-6-2-4-17-23(19)26(36)31(25(17)35)20-9-10-21(32)30-24(20)34/h2,4,6-8,11,18,20,28H,1,3,5,9-10,13H2,(H,29,33)(H,30,32,34).
What are the key properties of N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide?
N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide has a molecular weight of 485.50 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide is sourced from PubChem (CID 166426211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).