1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one

C22H25NO — CID 3760324

IUPAC1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one
SMILESCCC1C(=O)N(CC)C(c2ccccc2)=CC1(C)c1ccccc1
InChIInChI=1S/C22H25NO/c1-4-19-21(24)23(5-2)20(17-12-8-6-9-13-17)16-22(19,3)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3
InChIKeyNIGPHELQESDFAT-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.87
Rot. Bonds4

About 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one

1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one (PubChem CID 3760324) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one.

Molecular Properties

Compound Name1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one
PubChem CID3760324
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one
SMILESCCC1C(=O)N(CC)C(c2ccccc2)=CC1(C)c1ccccc1
InChIInChI=1S/C22H25NO/c1-4-19-21(24)23(5-2)20(17-12-8-6-9-13-17)16-22(19,3)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3
InChIKeyNIGPHELQESDFAT-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzyl-N-isopropyl-3-phenylpropanamide
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N-cyclohexyl-N-methyl-4-phenylbenzamide
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(1-Phenylcyclohexyl)-1-piperidinylmethanone
CID 2197578
N,N-diethyl-2,2-diphenylacetamide
CID 229107
1-Methyl-5-(4-phenylazo-phenyl)-piperidin-2-one
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Spiro-carboxamide scaffold, 12
CID 44143298

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one?
The IUPAC name of 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one (CID 3760324) is 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one.
What is the SMILES notation for 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one?
The canonical SMILES for 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one is CCC1C(=O)N(CC)C(c2ccccc2)=CC1(C)c1ccccc1.
What is the InChIKey of 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one?
The InChIKey is NIGPHELQESDFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-4-19-21(24)23(5-2)20(17-12-8-6-9-13-17)16-22(19,3)18-14-10-7-11-15-18/h6-16,19H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one?
1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one has a molecular weight of 319.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-methyl-4,6-diphenyl-3H-pyridin-2-one is sourced from PubChem (CID 3760324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).