2-methyl-N,1,5-triphenylpyrrole-3-carboxamide

C24H20N2O — CID 2742318

IUPAC2-methyl-N,1,5-triphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H20N2O/c1-18-22(24(27)25-20-13-7-3-8-14-20)17-23(19-11-5-2-6-12-19)26(18)21-15-9-4-10-16-21/h2-17H,1H3,(H,25,27)
InChIKeyYBRWBXZPTHGDFS-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.71
Rot. Bonds4

About 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide

2-methyl-N,1,5-triphenylpyrrole-3-carboxamide (PubChem CID 2742318) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N,1,5-triphenylpyrrole-3-carboxamide
PubChem CID2742318
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-methyl-N,1,5-triphenylpyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H20N2O/c1-18-22(24(27)25-20-13-7-3-8-14-20)17-23(19-11-5-2-6-12-19)26(18)21-15-9-4-10-16-21/h2-17H,1H3,(H,25,27)
InChIKeyYBRWBXZPTHGDFS-UHFFFAOYSA-N
XLogP5.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide (CID 2742318) is 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide?
The InChIKey is YBRWBXZPTHGDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-18-22(24(27)25-20-13-7-3-8-14-20)17-23(19-11-5-2-6-12-19)26(18)21-15-9-4-10-16-21/h2-17H,1H3,(H,25,27).
What are the key properties of 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide?
2-methyl-N,1,5-triphenylpyrrole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,1,5-triphenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).