5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide

C21H24N4O — CID 44516944

IUPAC5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C21H24N4O/c26-21(24-20-6-5-14-3-1-2-4-19(14)20)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,20,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+,20?
InChIKeyJRBPWKGPYGZYOP-XEWABKELSA-N
MW348.45 g/mol
LogP2.15
Rot. Bonds3

About 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide

5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide (PubChem CID 44516944) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
PubChem CID44516944
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C21H24N4O/c26-21(24-20-6-5-14-3-1-2-4-19(14)20)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,20,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+,20?
InChIKeyJRBPWKGPYGZYOP-XEWABKELSA-N
XLogP2.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide (CID 44516944) is 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide is O=C(NC1CCc2ccccc21)c1cncc(N2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
The InChIKey is JRBPWKGPYGZYOP-XEWABKELSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(24-20-6-5-14-3-1-2-4-19(14)20)15-7-18(11-23-8-15)25-12-16-9-22-10-17(16)13-25/h1-4,7-8,11,16-17,20,22H,5-6,9-10,12-13H2,(H,24,26)/t16-,17+,20?.
What are the key properties of 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44516944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).