N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide

C18H23N3O3 — CID 154801261

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
SMILESCc1ncccc1OC1CCN(CC(=O)N(C)Cc2ccco2)C1
InChIInChI=1S/C18H23N3O3/c1-14-17(6-3-8-19-14)24-16-7-9-21(12-16)13-18(22)20(2)11-15-5-4-10-23-15/h3-6,8,10,16H,7,9,11-13H2,1-2H3
InChIKeySQEIETCFSGUHRG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide (PubChem CID 154801261) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
PubChem CID154801261
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
SMILESCc1ncccc1OC1CCN(CC(=O)N(C)Cc2ccco2)C1
InChIInChI=1S/C18H23N3O3/c1-14-17(6-3-8-19-14)24-16-7-9-21(12-16)13-18(22)20(2)11-15-5-4-10-23-15/h3-6,8,10,16H,7,9,11-13H2,1-2H3
InChIKeySQEIETCFSGUHRG-UHFFFAOYSA-N
XLogP2.09
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide (CID 154801261) is N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide is Cc1ncccc1OC1CCN(CC(=O)N(C)Cc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
The InChIKey is SQEIETCFSGUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-17(6-3-8-19-14)24-16-7-9-21(12-16)13-18(22)20(2)11-15-5-4-10-23-15/h3-6,8,10,16H,7,9,11-13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 154801261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).