[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone

C19H24N2O4 — CID 97369126

IUPAC[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCOCCO[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C19H24N2O4/c1-14-5-6-18(25-14)19(22)21-9-7-17(24-11-10-23-2)16(21)12-15-4-3-8-20-13-15/h3-6,8,13,16-17H,7,9-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyJPYYMKPQKAMSBN-IAGOWNOFSA-N
MW344.41 g/mol
LogP2.47
Rot. Bonds7

About [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone

[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 97369126) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID97369126
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCOCCO[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C19H24N2O4/c1-14-5-6-18(25-14)19(22)21-9-7-17(24-11-10-23-2)16(21)12-15-4-3-8-20-13-15/h3-6,8,13,16-17H,7,9-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyJPYYMKPQKAMSBN-IAGOWNOFSA-N
XLogP2.47
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone (CID 97369126) is [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone is COCCO[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]1Cc1cccnc1.
What is the InChIKey of [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is JPYYMKPQKAMSBN-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14-5-6-18(25-14)19(22)21-9-7-17(24-11-10-23-2)16(21)12-15-4-3-8-20-13-15/h3-6,8,13,16-17H,7,9-12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 97369126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).