2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide

C23H21N3O3 — CID 58146158

IUPAC2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCc1ccc(Oc2cc(C(=O)Nc3ccc(C)cn3)cc3c2CN(C)C3=O)cc1
InChIInChI=1S/C23H21N3O3/c1-14-4-7-17(8-5-14)29-20-11-16(10-18-19(20)13-26(3)23(18)28)22(27)25-21-9-6-15(2)12-24-21/h4-12H,13H2,1-3H3,(H,24,25,27)
InChIKeyGJEDNQLNQOHQMN-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.33
Rot. Bonds4

About 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide

2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide (PubChem CID 58146158) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide
PubChem CID58146158
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide
SMILESCc1ccc(Oc2cc(C(=O)Nc3ccc(C)cn3)cc3c2CN(C)C3=O)cc1
InChIInChI=1S/C23H21N3O3/c1-14-4-7-17(8-5-14)29-20-11-16(10-18-19(20)13-26(3)23(18)28)22(27)25-21-9-6-15(2)12-24-21/h4-12H,13H2,1-3H3,(H,24,25,27)
InChIKeyGJEDNQLNQOHQMN-UHFFFAOYSA-N
XLogP4.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 157263368
N-(5-ethyl-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide
CID 58146262
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
N-(5-fluoro-2-pyridinyl)-2-methyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxamide;sulfur dioxide
CID 162197358
3-hydroxy-2-(2-methoxyethyl)-7-(4-methylperoxysulfanylphenoxy)-N-(5-methyl-2-pyridinyl)isoindole-5-carboxamide
CID 90721975
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
2-[4-[[4-[5-[(5-amino-2-pyridinyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-N-(5-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 166964969
N-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzamide
CID 73350645
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3-amino-5-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 81090786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide?
The IUPAC name of 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide (CID 58146158) is 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide?
The canonical SMILES for 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide is Cc1ccc(Oc2cc(C(=O)Nc3ccc(C)cn3)cc3c2CN(C)C3=O)cc1.
What is the InChIKey of 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide?
The InChIKey is GJEDNQLNQOHQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-4-7-17(8-5-14)29-20-11-16(10-18-19(20)13-26(3)23(18)28)22(27)25-21-9-6-15(2)12-24-21/h4-12H,13H2,1-3H3,(H,24,25,27).
What are the key properties of 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide?
2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-methylphenoxy)-N-(5-methyl-2-pyridinyl)-3-oxo-1H-isoindole-5-carboxamide is sourced from PubChem (CID 58146158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).