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

C19H23N5O — CID 44515686

IUPAC6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(N2C[C@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C19H23N5O/c25-19(22-7-6-14-4-2-1-3-5-14)17-10-21-11-18(23-17)24-12-15-8-20-9-16(15)13-24/h1-5,10-11,15-16,20H,6-9,12-13H2,(H,22,25)/t15-,16+
InChIKeyRNOQMFLTYWESRB-IYBDPMFKSA-N
MW337.43 g/mol
LogP1.10
Rot. Bonds5

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

6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 44515686) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID44515686
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cncc(N2C[C@H]3CNC[C@H]3C2)n1
InChIInChI=1S/C19H23N5O/c25-19(22-7-6-14-4-2-1-3-5-14)17-10-21-11-18(23-17)24-12-15-8-20-9-16(15)13-24/h1-5,10-11,15-16,20H,6-9,12-13H2,(H,22,25)/t15-,16+
InChIKeyRNOQMFLTYWESRB-IYBDPMFKSA-N
XLogP1.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 44515686) is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide is O=C(NCCc1ccccc1)c1cncc(N2C[C@H]3CNC[C@H]3C2)n1.
What is the InChIKey of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is RNOQMFLTYWESRB-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(22-7-6-14-4-2-1-3-5-14)17-10-21-11-18(23-17)24-12-15-8-20-9-16(15)13-24/h1-5,10-11,15-16,20H,6-9,12-13H2,(H,22,25)/t15-,16+.
What are the key properties of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 44515686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).