2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide

C25H22N4O2 — CID 45147088

IUPAC2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
SMILESCc1c(C2c3ccccc3C(=O)N2CC(=O)Nc2ccccn2)c2ccccc2n1C
InChIInChI=1S/C25H22N4O2/c1-16-23(19-11-5-6-12-20(19)28(16)2)24-17-9-3-4-10-18(17)25(31)29(24)15-22(30)27-21-13-7-8-14-26-21/h3-14,24H,15H2,1-2H3,(H,26,27,30)
InChIKeyURGVKHLLRJYJIF-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.07
Rot. Bonds4

About 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide

2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide (PubChem CID 45147088) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
PubChem CID45147088
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
SMILESCc1c(C2c3ccccc3C(=O)N2CC(=O)Nc2ccccn2)c2ccccc2n1C
InChIInChI=1S/C25H22N4O2/c1-16-23(19-11-5-6-12-20(19)28(16)2)24-17-9-3-4-10-18(17)25(31)29(24)15-22(30)27-21-13-7-8-14-26-21/h3-14,24H,15H2,1-2H3,(H,26,27,30)
InChIKeyURGVKHLLRJYJIF-UHFFFAOYSA-N
XLogP4.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 71226662
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Gsk2816126
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Gsk 343
CID 71268957
Unc1999
CID 72551585
(3R)-1-(2-(1-((4-fluorophenyl)methyl)-1H-indol-2-yl)-3-methylimidazo(1,2-a)pyridine-7-carbonyl)piperidin-3-amine
CID 138578805
Fumiquinazoline F
CID 10089772
Piperazine, 1-((6-formyl-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454727
1H-Indole-1-acetamide, N-(5-chloro-2-pyridinyl)-2-[[[1-(1-methylethyl)-4-piperidinyl]amino]carbonyl]-
CID 10095455
Indole Naphthyridinone
CID 5288607
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide (CID 45147088) is 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide is Cc1c(C2c3ccccc3C(=O)N2CC(=O)Nc2ccccn2)c2ccccc2n1C.
What is the InChIKey of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide?
The InChIKey is URGVKHLLRJYJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-23(19-11-5-6-12-20(19)28(16)2)24-17-9-3-4-10-18(17)25(31)29(24)15-22(30)27-21-13-7-8-14-26-21/h3-14,24H,15H2,1-2H3,(H,26,27,30).
What are the key properties of 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide?
2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide has a molecular weight of 410.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylindol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 45147088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).