N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C21H19N5O4 — CID 50995571

IUPACN-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESN#Cc1ccccc1N1CCO[C@H](C(O)C(=O)Nc2ccc3c(c2)CN=C3N)C1=O
InChIInChI=1S/C21H19N5O4/c22-10-12-3-1-2-4-16(12)26-7-8-30-18(21(26)29)17(27)20(28)25-14-5-6-15-13(9-14)11-24-19(15)23/h1-6,9,17-18,27H,7-8,11H2,(H2,23,24)(H,25,28)/t17?,18-/m1/s1
InChIKeyGXXMWTWWTOOQLD-QRWMCTBCSA-N
MW405.41 g/mol
LogP0.51
Rot. Bonds4

About N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 50995571) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID50995571
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESN#Cc1ccccc1N1CCO[C@H](C(O)C(=O)Nc2ccc3c(c2)CN=C3N)C1=O
InChIInChI=1S/C21H19N5O4/c22-10-12-3-1-2-4-16(12)26-7-8-30-18(21(26)29)17(27)20(28)25-14-5-6-15-13(9-14)11-24-19(15)23/h1-6,9,17-18,27H,7-8,11H2,(H2,23,24)(H,25,28)/t17?,18-/m1/s1
InChIKeyGXXMWTWWTOOQLD-QRWMCTBCSA-N
XLogP0.51
TPSA141.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 50995571) is N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is N#Cc1ccccc1N1CCO[C@H](C(O)C(=O)Nc2ccc3c(c2)CN=C3N)C1=O.
What is the InChIKey of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is GXXMWTWWTOOQLD-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H19N5O4/c22-10-12-3-1-2-4-16(12)26-7-8-30-18(21(26)29)17(27)20(28)25-14-5-6-15-13(9-14)11-24-19(15)23/h1-6,9,17-18,27H,7-8,11H2,(H2,23,24)(H,25,28)/t17?,18-/m1/s1.
What are the key properties of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 405.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 50995571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).