2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C22H23N3O4 — CID 67236437

IUPAC2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc(Cn2c(C)cc(C(=O)C(=O)Nc3ccnc(OC)c3)c2C)cc1
InChIInChI=1S/C22H23N3O4/c1-14-11-19(15(2)25(14)13-16-5-7-18(28-3)8-6-16)21(26)22(27)24-17-9-10-23-20(12-17)29-4/h5-12H,13H2,1-4H3,(H,23,24,27)
InChIKeyRVKBNASTZRSVRS-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.39
Rot. Bonds7

About 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 67236437) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID67236437
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc(Cn2c(C)cc(C(=O)C(=O)Nc3ccnc(OC)c3)c2C)cc1
InChIInChI=1S/C22H23N3O4/c1-14-11-19(15(2)25(14)13-16-5-7-18(28-3)8-6-16)21(26)22(27)24-17-9-10-23-20(12-17)29-4/h5-12H,13H2,1-4H3,(H,23,24,27)
InChIKeyRVKBNASTZRSVRS-UHFFFAOYSA-N
XLogP3.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57387695
2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 118177589
[1-[(4-chlorophenyl)methyl]-4-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2,3-dimethylindol-5-yl] acetate
CID 151667750
1-[(4-chlorophenyl)methyl]-3-[2-[(2-methoxy-4-pyridinyl)amino]-2-oxoacetyl]-2-methylindole-5-carboxylic acid
CID 57386189
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53244593
2-[1-[(4-chloro-2-fluorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 53482570
2-[1-[(4-chlorophenyl)methyl]-4-cyclopenta-1,3,4-trien-1-yl-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 123511601
2-[1-[(4-chlorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 57405859
2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144704
2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 163954116
2-[1-[(2-chloro-4-fluorophenyl)methyl]-2,5-dimethylindol-4-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
CID 25145688
2-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 25144411

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 67236437) is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1ccc(Cn2c(C)cc(C(=O)C(=O)Nc3ccnc(OC)c3)c2C)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is RVKBNASTZRSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-11-19(15(2)25(14)13-16-5-7-18(28-3)8-6-16)21(26)22(27)24-17-9-10-23-20(12-17)29-4/h5-12H,13H2,1-4H3,(H,23,24,27).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 393.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 67236437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).