2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C18H18N2O3 — CID 171580807

IUPAC2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1CC1=C(CCC(c3ccc[nH]c3=O)C1=O)N2
InChIInChI=1S/C18H18N2O3/c21-16-5-1-4-14-12(16)9-13-15(20-14)7-6-10(17(13)22)11-3-2-8-19-18(11)23/h2-3,8,10,20H,1,4-7,9H2,(H,19,23)
InChIKeyWLTXYIQVVPPFKP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.08
Rot. Bonds1

About 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 171580807) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID171580807
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1CC1=C(CCC(c3ccc[nH]c3=O)C1=O)N2
InChIInChI=1S/C18H18N2O3/c21-16-5-1-4-14-12(16)9-13-15(20-14)7-6-10(17(13)22)11-3-2-8-19-18(11)23/h2-3,8,10,20H,1,4-7,9H2,(H,19,23)
InChIKeyWLTXYIQVVPPFKP-UHFFFAOYSA-N
XLogP2.08
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione with MolForge

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Related Compounds

2-[[5,6-Dioxo-2-(2-oxo-1-pyridinyl)cyclohexa-1,3-dien-1-yl]methyl]octanamide
CID 140997341
(4Z)-N-[2-[3,6-dioxo-5-[[2-oxo-2-(4-oxocyclohexyl)ethyl]amino]cyclohexa-1,4-dien-1-yl]-2-oxoethyl]-3-methylidenehepta-4,6-dienamide
CID 142171643
(3S)-N'-methyl-2-(2-methylpropyl)-4-oxo-3-[(2-oxo-1H-pyridin-3-yl)methyl]pentanediamide
CID 168857382
10-[3-(dimethylamino)propyl]-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 171406139
10-(2-hydroxyethyl)-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 171580806
10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(2-oxo-1H-pyridin-3-yl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 172476948
2-[1,8-dioxo-9-(2-oxo-1H-pyridin-3-yl)-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
CID 174217593
ethane;14-methyl-6-(3-methyl-5,6-dioxo-1H-indol-7-yl)-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),13-pentaene-7,8,15,16-tetrone
CID 176935505
6-(5,6-dioxo-3-propan-2-yl-1H-indol-7-yl)-14-propan-2-yl-4,12-diazapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,9(18),13-pentaene-7,8,15,16-tetrone
CID 177065929

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 171580807) is 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1CC1=C(CCC(c3ccc[nH]c3=O)C1=O)N2.
What is the InChIKey of 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is WLTXYIQVVPPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16-5-1-4-14-12(16)9-13-15(20-14)7-6-10(17(13)22)11-3-2-8-19-18(11)23/h2-3,8,10,20H,1,4-7,9H2,(H,19,23).
What are the key properties of 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 310.35 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-pyridin-3-yl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 171580807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).