2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

C26H26N2O4 — CID 146089743

IUPAC2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
SMILESCC(C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)C2C3CCC(O3)C2C1=O
InChIInChI=1S/C26H26N2O4/c1-15(28-25(30)22-20-9-10-21(32-20)23(22)26(28)31)24(29)27-13-11-17(12-14-27)19-8-4-6-16-5-2-3-7-18(16)19/h2-8,11,15,20-23H,9-10,12-14H2,1H3
InChIKeyLKMVRSGMWCLISE-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.01
Rot. Bonds3

About 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione

2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (PubChem CID 146089743) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
PubChem CID146089743
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
SMILESCC(C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)C2C3CCC(O3)C2C1=O
InChIInChI=1S/C26H26N2O4/c1-15(28-25(30)22-20-9-10-21(32-20)23(22)26(28)31)24(29)27-13-11-17(12-14-27)19-8-4-6-16-5-2-3-7-18(16)19/h2-8,11,15,20-23H,9-10,12-14H2,1H3
InChIKeyLKMVRSGMWCLISE-UHFFFAOYSA-N
XLogP3.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 95044705
2-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;hydrochloride
CID 119415175
(3-aminopyrazin-2-yl)-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 95048310
1-[4-(1-hydroxynaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 18751551
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 56800121
1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 166201177
N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 166200211
N-hydroxy-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetamide
CID 145487518
2-[4-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 46561977
4-(7-ethyl-1H-indol-3-yl)-N-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97186365
2-[(4S,7R)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-phenylpropanoic acid
CID 59351949
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]cyclohexanecarboxamide
CID 18136356

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The IUPAC name of 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (CID 146089743) is 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
What is the SMILES notation for 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The canonical SMILES for 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is CC(C(=O)N1CC=C(c2cccc3ccccc23)CC1)N1C(=O)C2C3CCC(O3)C2C1=O.
What is the InChIKey of 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The InChIKey is LKMVRSGMWCLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-15(28-25(30)22-20-9-10-21(32-20)23(22)26(28)31)24(29)27-13-11-17(12-14-27)19-8-4-6-16-5-2-3-7-18(16)19/h2-8,11,15,20-23H,9-10,12-14H2,1H3.
What are the key properties of 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione has a molecular weight of 430.50 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 146089743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).