[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate

C19H18N2O3 — CID 21266451

IUPAC[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C=C(c2cccc(C)c2)C1c1ccncc1
InChIInChI=1S/C19H18N2O3/c1-12-4-3-5-15(10-12)16-11-17(23)21-19(24-13(2)22)18(16)14-6-8-20-9-7-14/h3-11,18-19H,1-2H3,(H,21,23)
InChIKeyGBGHRTUYJZQITG-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.58
Rot. Bonds3

About [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate

[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate (PubChem CID 21266451) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate.

Molecular Properties

Compound Name[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate
PubChem CID21266451
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C=C(c2cccc(C)c2)C1c1ccncc1
InChIInChI=1S/C19H18N2O3/c1-12-4-3-5-15(10-12)16-11-17(23)21-19(24-13(2)22)18(16)14-6-8-20-9-7-14/h3-11,18-19H,1-2H3,(H,21,23)
InChIKeyGBGHRTUYJZQITG-UHFFFAOYSA-N
XLogP2.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate?
The IUPAC name of [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate (CID 21266451) is [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate.
What is the SMILES notation for [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate?
The canonical SMILES for [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate is CC(=O)OC1NC(=O)C=C(c2cccc(C)c2)C1c1ccncc1.
What is the InChIKey of [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate?
The InChIKey is GBGHRTUYJZQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-4-3-5-15(10-12)16-11-17(23)21-19(24-13(2)22)18(16)14-6-8-20-9-7-14/h3-11,18-19H,1-2H3,(H,21,23).
What are the key properties of [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate?
[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate has a molecular weight of 322.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate is sourced from PubChem (CID 21266451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).