5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C20H19N3O2 — CID 10520636

IUPAC5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESCNc1cccnc1C1=CCC2C(=O)N(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C20H19N3O2/c1-21-17-8-5-11-22-18(17)13-9-10-15-16(12-13)20(25)23(19(15)24)14-6-3-2-4-7-14/h2-9,11,15-16,21H,10,12H2,1H3
InChIKeyGRGKCAJMHVBFFJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.11
Rot. Bonds3

About 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (PubChem CID 10520636) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
PubChem CID10520636
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILESCNc1cccnc1C1=CCC2C(=O)N(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C20H19N3O2/c1-21-17-8-5-11-22-18(17)13-9-10-15-16(12-13)20(25)23(19(15)24)14-6-3-2-4-7-14/h2-9,11,15-16,21H,10,12H2,1H3
InChIKeyGRGKCAJMHVBFFJ-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminophenyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 75162882
5-acetyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13220904
(5aR,8aS)-7-phenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione
CID 15307121
(6aR,9aS)-8-phenyl-6,6a,9a,10-tetrahydroisoindolo[5,6-g]quinoxaline-7,9-dione
CID 10544319
(3aS,7aR)-5-methyl-2-pyrimidin-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 799576
2-phenyl-5-propan-2-ylidene-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrole-1,3-dione
CID 620418
(3aR,7aR)-5-methyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 745681
5-methyl-2-(4-phenoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3098059
(3aS,7aR)-2-[4-[(3aR,7aS)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1114628
dimethyl 1,3-dioxo-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrobenzo[f]isoindole-6,7-dicarboxylate
CID 12814576
5-chloro-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2870981
5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenyl-3a,4,5,9b-tetrahydropyrrolo[3,4-f]quinoline-1,3-dione
CID 12579892

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The IUPAC name of 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CID 10520636) is 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is CNc1cccnc1C1=CCC2C(=O)N(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The InChIKey is GRGKCAJMHVBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-21-17-8-5-11-22-18(17)13-9-10-15-16(12-13)20(25)23(19(15)24)14-6-3-2-4-7-14/h2-9,11,15-16,21H,10,12H2,1H3.
What are the key properties of 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione has a molecular weight of 333.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)-2-pyridinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 10520636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).