5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one

C17H21NO2 — CID 493537

IUPAC5-ethyl-6-methyl-3-[(4-methylphenyl)methoxymethyl]-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)COCC2=CC=C(C=C2)C)C
InChIInChI=1S/C17H21NO2/c1-4-15-9-16(17(19)18-13(15)3)11-20-10-14-7-5-12(2)6-8-14/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyYPZGBVAUXWNMNW-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.40
Rot. Bonds5

About 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one

5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one (PubChem CID 493537) has the molecular formula C17H21NO2 and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-ethyl-6-methyl-3-[(4-methylphenyl)methoxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one
PubChem CID493537
Molecular FormulaC17H21NO2
Molecular Weight271.35 g/mol
Exact Mass271.16
IUPAC Name5-ethyl-6-methyl-3-[(4-methylphenyl)methoxymethyl]-1H-pyridin-2-one
SMILESCCC1=C(NC(=O)C(=C1)COCC2=CC=C(C=C2)C)C
InChIInChI=1S/C17H21NO2/c1-4-15-9-16(17(19)18-13(15)3)11-20-10-14-7-5-12(2)6-8-14/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyYPZGBVAUXWNMNW-UHFFFAOYSA-N
XLogP2.40
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity415

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284714
3-(1-Benzyloxy-3-cyclopropyl-1-trifluoromethyl-prop-2-ynyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 10000395
Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 9993158
6-Oxo-1,6-dihydro-pyridine-2-carboxylic acid 4-methyl-benzyl ester
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5-Benzyloxymethyl-6-methyluracil
CID 2756642
2(1H)-Pyridinone, 3-(3-cyclopropyl-1-(phenylmethoxy)-1-(trifluoromethyl)-2-propynyl)-5-ethyl-6-methyl-
CID 483806
7-[4-(methoxymethyl)phenyl]-1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 44345254
6-nonyl-4-phenylmethoxy-1H-pyridin-2-one
CID 178310753
(4-cyanophenyl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 4851565
3-(benzyloxymethyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 493536
5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493538
5-ethyl-3-[(3-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493539

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one (CID 493537) is 5-ethyl-6-methyl-3-[(4-methylphenyl)methoxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one is CCC1=C(NC(=O)C(=C1)COCC2=CC=C(C=C2)C)C.
What is the InChIKey of 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one?
The InChIKey is YPZGBVAUXWNMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-15-9-16(17(19)18-13(15)3)11-20-10-14-7-5-12(2)6-8-14/h5-9H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one?
5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one has a molecular weight of 271.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-3-(p-tolylmethoxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 493537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).