5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide

C14H16N2O2 — CID 116828514

IUPAC5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)c(C)n1C
InChIInChI=1S/C14H16N2O2/c1-9-11(14(15)17)8-12(16(9)2)10-6-4-5-7-13(10)18-3/h4-8H,1-3H3,(H2,15,17)
InChIKeyUIJUPZGKQCPAAB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.11
Rot. Bonds3

About 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide

5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 116828514) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
PubChem CID116828514
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)c(C)n1C
InChIInChI=1S/C14H16N2O2/c1-9-11(14(15)17)8-12(16(9)2)10-6-4-5-7-13(10)18-3/h4-8H,1-3H3,(H2,15,17)
InChIKeyUIJUPZGKQCPAAB-UHFFFAOYSA-N
XLogP2.11
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 3823576
5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
CID 3825507
5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3825510
2-(2-methoxy-5-methylphenyl)benzamide
CID 66715055
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168471
5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3854716
1-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3825508
methyl 1-(4-bromophenyl)-5-(2-methoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 71812863

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide (CID 116828514) is 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide is COc1ccccc1-c1cc(C(N)=O)c(C)n1C.
What is the InChIKey of 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is UIJUPZGKQCPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-11(14(15)17)8-12(16(9)2)10-6-4-5-7-13(10)18-3/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide?
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 116828514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).