[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone

C25H25N3O — CID 67116353

IUPAC[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
SMILESCc1cccc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1
InChIInChI=1S/C25H25N3O/c1-18-8-7-13-24(26-18)27-14-20-16-28(17-21(20)15-27)25(29)23-12-6-5-11-22(23)19-9-3-2-4-10-19/h2-13,20-21H,14-17H2,1H3
InChIKeyFAMXEDYJEDJJMM-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.27
Rot. Bonds3

About [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone

[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone (PubChem CID 67116353) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
PubChem CID67116353
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
SMILESCc1cccc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1
InChIInChI=1S/C25H25N3O/c1-18-8-7-13-24(26-18)27-14-20-16-28(17-21(20)15-27)25(29)23-12-6-5-11-22(23)19-9-3-2-4-10-19/h2-13,20-21H,14-17H2,1H3
InChIKeyFAMXEDYJEDJJMM-UHFFFAOYSA-N
XLogP4.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone (CID 67116353) is [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone is Cc1cccc(N2CC3CN(C(=O)c4ccccc4-c4ccccc4)CC3C2)n1.
What is the InChIKey of [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
The InChIKey is FAMXEDYJEDJJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-8-7-13-24(26-18)27-14-20-16-28(17-21(20)15-27)25(29)23-12-6-5-11-22(23)19-9-3-2-4-10-19/h2-13,20-21H,14-17H2,1H3.
What are the key properties of [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone has a molecular weight of 383.50 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 67116353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).