2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

C12H18N2O2 — CID 82064658

IUPAC2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCN1CCCC1
InChIInChI=1S/C12H18N2O2/c1-10-12(11(15)4-5-13-10)16-9-8-14-6-2-3-7-14/h4-5H,2-3,6-9H2,1H3,(H,13,15)
InChIKeyPURMJXGCDFTACA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds4

About 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 82064658) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID82064658
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCN1CCCC1
InChIInChI=1S/C12H18N2O2/c1-10-12(11(15)4-5-13-10)16-9-8-14-6-2-3-7-14/h4-5H,2-3,6-9H2,1H3,(H,13,15)
InChIKeyPURMJXGCDFTACA-UHFFFAOYSA-N
XLogP1.16
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 2726304
2-Aminomethyl-5-(2-pyrrolidin-1-yl-ethoxy)-pyridin-4-ol
CID 59300403
1-(3-Aminopropyl)-3-butoxy-2-methylpyridin-4-one
CID 124190389
5-Methoxy-2-(pyrrolidin-1-ylmethyl)pyridin-4-ol
CID 33679506
1-(2-Aminoethyl)-3-ethoxy-2-methylpyridin-4-one
CID 82063237
2-(chloromethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82063829
2-(hydroxymethyl)-5-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82063899
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
CID 82064552
N,N-diethyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064557
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N,N-dipropylacetamide
CID 82064559
N-butyl-N-methyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064561
N-(2-methoxyethyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (CID 82064658) is 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCN1CCCC1.
What is the InChIKey of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is PURMJXGCDFTACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-12(11(15)4-5-13-10)16-9-8-14-6-2-3-7-14/h4-5H,2-3,6-9H2,1H3,(H,13,15).
What are the key properties of 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82064658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).