5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide

C23H23N3O — CID 3807484

IUPAC5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2cccc(C#N)c2)n1C(C)CCc1ccccc1
InChIInChI=1S/C23H23N3O/c1-16(11-12-18-7-4-3-5-8-18)26-17(2)21(23(25)27)14-22(26)20-10-6-9-19(13-20)15-24/h3-10,13-14,16H,11-12H2,1-2H3,(H2,25,27)
InChIKeyOYIYTGJOVJMTHK-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.63
Rot. Bonds6

About 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide

5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide (PubChem CID 3807484) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
PubChem CID3807484
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2cccc(C#N)c2)n1C(C)CCc1ccccc1
InChIInChI=1S/C23H23N3O/c1-16(11-12-18-7-4-3-5-8-18)26-17(2)21(23(25)27)14-22(26)20-10-6-9-19(13-20)15-24/h3-10,13-14,16H,11-12H2,1-2H3,(H2,25,27)
InChIKeyOYIYTGJOVJMTHK-UHFFFAOYSA-N
XLogP4.63
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 5016993
2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3723866
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[2-(3-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811310
5-(3-bromophenyl)-1-(1-methoxypropan-2-yl)-2-methylpyrrole-3-carboxamide
CID 3830834
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307
5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 5221186
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-(1-methoxypropan-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799832

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide (CID 3807484) is 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2cccc(C#N)c2)n1C(C)CCc1ccccc1.
What is the InChIKey of 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
The InChIKey is OYIYTGJOVJMTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16(11-12-18-7-4-3-5-8-18)26-17(2)21(23(25)27)14-22(26)20-10-6-9-19(13-20)15-24/h3-10,13-14,16H,11-12H2,1-2H3,(H2,25,27).
What are the key properties of 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3807484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).