2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide

C21H22N2O4 — CID 86299303

IUPAC2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCOc1cc(-c2ccc(-c3cc(C(N)=O)c(C)[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-12-16(21(22)24)11-17(23-12)14-7-5-13(6-8-14)15-9-18(25-2)20(27-4)19(10-15)26-3/h5-11,23H,1-4H3,(H2,22,24)
InChIKeyPGOUMZLNTZHEKD-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.78
Rot. Bonds6

About 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide

2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 86299303) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID86299303
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCOc1cc(-c2ccc(-c3cc(C(N)=O)c(C)[nH]3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-12-16(21(22)24)11-17(23-12)14-7-5-13(6-8-14)15-9-18(25-2)20(27-4)19(10-15)26-3/h5-11,23H,1-4H3,(H2,22,24)
InChIKeyPGOUMZLNTZHEKD-UHFFFAOYSA-N
XLogP3.78
TPSA86.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide (CID 86299303) is 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide is COc1cc(-c2ccc(-c3cc(C(N)=O)c(C)[nH]3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is PGOUMZLNTZHEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-16(21(22)24)11-17(23-12)14-7-5-13(6-8-14)15-9-18(25-2)20(27-4)19(10-15)26-3/h5-11,23H,1-4H3,(H2,22,24).
What are the key properties of 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide?
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86299303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).