[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone

C19H21N3O3 — CID 97421060

IUPAC[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cn1
InChIInChI=1S/C19H21N3O3/c1-14-4-5-15(7-21-14)18(23)22-9-16-10-24-12-19(16,11-22)13-25-17-3-2-6-20-8-17/h2-8,16H,9-13H2,1H3/t16-,19+/m1/s1
InChIKeyKKNDGOCTNQPWDA-APWZRJJASA-N
MW339.39 g/mol
LogP1.95
Rot. Bonds4

About [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone

[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97421060) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97421060
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cn1
InChIInChI=1S/C19H21N3O3/c1-14-4-5-15(7-21-14)18(23)22-9-16-10-24-12-19(16,11-22)13-25-17-3-2-6-20-8-17/h2-8,16H,9-13H2,1H3/t16-,19+/m1/s1
InChIKeyKKNDGOCTNQPWDA-APWZRJJASA-N
XLogP1.95
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone (CID 97421060) is [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cn1.
What is the InChIKey of [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is KKNDGOCTNQPWDA-APWZRJJASA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-4-5-15(7-21-14)18(23)22-9-16-10-24-12-19(16,11-22)13-25-17-3-2-6-20-8-17/h2-8,16H,9-13H2,1H3/t16-,19+/m1/s1.
What are the key properties of [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone?
[(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 339.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3a-(pyridin-3-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97421060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).