3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one

C17H21NO — CID 174602974

IUPAC3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one
SMILESCCc1cccn(Cc2cccc(C(C)C)c2)c1=O
InChIInChI=1S/C17H21NO/c1-4-15-9-6-10-18(17(15)19)12-14-7-5-8-16(11-14)13(2)3/h5-11,13H,4,12H2,1-3H3
InChIKeyHBWMAHFMPJFFSD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.58
Rot. Bonds4

About 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one

3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one (PubChem CID 174602974) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one
PubChem CID174602974
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one
SMILESCCc1cccn(Cc2cccc(C(C)C)c2)c1=O
InChIInChI=1S/C17H21NO/c1-4-15-9-6-10-18(17(15)19)12-14-7-5-8-16(11-14)13(2)3/h5-11,13H,4,12H2,1-3H3
InChIKeyHBWMAHFMPJFFSD-UHFFFAOYSA-N
XLogP3.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-ethyl-2-oxo-1-pyridinyl)methyl]-N,N-dimethylbenzenesulfonamide
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3-bromo-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
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3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
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CID 168942891
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-(cyclopropylmethyl)-3-ethylpyridin-2-one
CID 178099150
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 154837682
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
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(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one (CID 174602974) is 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one is CCc1cccn(Cc2cccc(C(C)C)c2)c1=O.
What is the InChIKey of 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one?
The InChIKey is HBWMAHFMPJFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-15-9-6-10-18(17(15)19)12-14-7-5-8-16(11-14)13(2)3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one?
3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-propan-2-ylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 174602974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).