6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile

C22H19N5O3 — CID 156867488

IUPAC6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(C2CC2)c(N)nc1-c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C22H19N5O3/c23-9-13-8-16(11-1-2-11)20(24)26-19(13)12-3-4-15-14(7-12)10-27(22(15)30)17-5-6-18(28)25-21(17)29/h3-4,7-8,11,17H,1-2,5-6,10H2,(H2,24,26)(H,25,28,29)
InChIKeyAHJKGGSZBGUQMB-UHFFFAOYSA-N
MW401.43 g/mol
LogP1.84
Rot. Bonds3

About 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile

6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile (PubChem CID 156867488) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile
PubChem CID156867488
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(C2CC2)c(N)nc1-c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C22H19N5O3/c23-9-13-8-16(11-1-2-11)20(24)26-19(13)12-3-4-15-14(7-12)10-27(22(15)30)17-5-6-18(28)25-21(17)29/h3-4,7-8,11,17H,1-2,5-6,10H2,(H2,24,26)(H,25,28,29)
InChIKeyAHJKGGSZBGUQMB-UHFFFAOYSA-N
XLogP1.84
TPSA129.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridazine-4-carbonitrile
CID 166173907
3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
3-[6-(5-cyclopropyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075201
3-[6-(6-amino-3-fluoro-4-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077066
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774
2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-methylimidazol-2-yl]benzonitrile
CID 171577475
3-[6-(2-cyclopropyl-5-phenyl-1,3-oxazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075390
(3S)-3-[6-[5-(6-amino-3-pyridinyl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577719
3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166173886
3-[6-(5-cyclopentyl-1-methylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075153
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylimidazol-4-yl]-4-methylbenzonitrile
CID 171075429

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile (CID 156867488) is 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile is N#Cc1cc(C2CC2)c(N)nc1-c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile?
The InChIKey is AHJKGGSZBGUQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c23-9-13-8-16(11-1-2-11)20(24)26-19(13)12-3-4-15-14(7-12)10-27(22(15)30)17-5-6-18(28)25-21(17)29/h3-4,7-8,11,17H,1-2,5-6,10H2,(H2,24,26)(H,25,28,29).
What are the key properties of 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile?
6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile has a molecular weight of 401.43 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 156867488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).