4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one

C14H18N2O3 — CID 104919718

IUPAC4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOCC1=CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C14H18N2O3/c1-15-6-5-12(9-13(15)17)14(18)16-7-3-11(4-8-16)10-19-2/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyNRTNMGOYXPLDBY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.80
Rot. Bonds3

About 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one

4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 104919718) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID104919718
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one
SMILESCOCC1=CCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C14H18N2O3/c1-15-6-5-12(9-13(15)17)14(18)16-7-3-11(4-8-16)10-19-2/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyNRTNMGOYXPLDBY-UHFFFAOYSA-N
XLogP0.80
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
(6-bromo-3-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408641
(2-hydroxy-4-methoxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114410052
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114409872
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114412341
(2,5-dihydroxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107723876
(2,5-dibromothiophen-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104919707
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
(4-fluoro-2-methylphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390157
(2-hydroxy-5-methoxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114410037
(2-chloro-6-ethyl-4-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408661

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one (CID 104919718) is 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one is COCC1=CCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is NRTNMGOYXPLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-6-5-12(9-13(15)17)14(18)16-7-3-11(4-8-16)10-19-2/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one?
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 104919718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).