2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide

C15H22N4O2 — CID 166892905

IUPAC2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide
SMILESN#CC1(NC(=O)C(N)CC2CC2)CCC2CNC(=O)C2C1
InChIInChI=1S/C15H22N4O2/c16-8-15(19-14(21)12(17)5-9-1-2-9)4-3-10-7-18-13(20)11(10)6-15/h9-12H,1-7,17H2,(H,18,20)(H,19,21)
InChIKeyADAVYTRXVAGYFL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.04
Rot. Bonds4

About 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide

2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide (PubChem CID 166892905) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide
PubChem CID166892905
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide
SMILESN#CC1(NC(=O)C(N)CC2CC2)CCC2CNC(=O)C2C1
InChIInChI=1S/C15H22N4O2/c16-8-15(19-14(21)12(17)5-9-1-2-9)4-3-10-7-18-13(20)11(10)6-15/h9-12H,1-7,17H2,(H,18,20)(H,19,21)
InChIKeyADAVYTRXVAGYFL-UHFFFAOYSA-N
XLogP0.04
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide (CID 166892905) is 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide is N#CC1(NC(=O)C(N)CC2CC2)CCC2CNC(=O)C2C1.
What is the InChIKey of 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide?
The InChIKey is ADAVYTRXVAGYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-8-15(19-14(21)12(17)5-9-1-2-9)4-3-10-7-18-13(20)11(10)6-15/h9-12H,1-7,17H2,(H,18,20)(H,19,21).
What are the key properties of 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide?
2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide has a molecular weight of 290.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-cyano-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindol-5-yl)-3-cyclopropylpropanamide is sourced from PubChem (CID 166892905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).