5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one

C15H14N2O2 — CID 103717991

IUPAC5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2Cc3ccccc3C2)c[nH]1
InChIInChI=1S/C15H14N2O2/c1-10-6-14(18)13(7-16-10)15(19)17-8-11-4-2-3-5-12(11)9-17/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyBOPMOTNZNNNTAR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.84
Rot. Bonds1

About 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one

5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 103717991) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
PubChem CID103717991
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2Cc3ccccc3C2)c[nH]1
InChIInChI=1S/C15H14N2O2/c1-10-6-14(18)13(7-16-10)15(19)17-8-11-4-2-3-5-12(11)9-17/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyBOPMOTNZNNNTAR-UHFFFAOYSA-N
XLogP1.84
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
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CID 71925487
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
CID 95933968
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 71778344
2-methyl-5-[(2R)-2-(2-methylphenyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 97072792
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 103718195
5-(2,2-dimethylthiomorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103739963
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103878843

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one (CID 103717991) is 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2Cc3ccccc3C2)c[nH]1.
What is the InChIKey of 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is BOPMOTNZNNNTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-6-14(18)13(7-16-10)15(19)17-8-11-4-2-3-5-12(11)9-17/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one?
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 254.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103717991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).