4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide

C23H23N3O — CID 3732537

IUPAC4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1cccc(C)c1
InChIInChI=1S/C23H23N3O/c1-4-20-22(19-10-8-17(13-24)9-11-19)21(23(25)27)16(3)26(20)14-18-7-5-6-15(2)12-18/h5-12H,4,14H2,1-3H3,(H2,25,27)
InChIKeyLHBFHNUNUGRJKV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.35
Rot. Bonds5

About 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide

4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 3732537) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
PubChem CID3732537
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1cccc(C)c1
InChIInChI=1S/C23H23N3O/c1-4-20-22(19-10-8-17(13-24)9-11-19)21(23(25)27)16(3)26(20)14-18-7-5-6-15(2)12-18/h5-12H,4,14H2,1-3H3,(H2,25,27)
InChIKeyLHBFHNUNUGRJKV-UHFFFAOYSA-N
XLogP4.35
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3732538
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3734908
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methylpyrrole-3-carboxamide
CID 3445579
4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide (CID 3732537) is 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide is CCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1cccc(C)c1.
What is the InChIKey of 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is LHBFHNUNUGRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-4-20-22(19-10-8-17(13-24)9-11-19)21(23(25)27)16(3)26(20)14-18-7-5-6-15(2)12-18/h5-12H,4,14H2,1-3H3,(H2,25,27).
What are the key properties of 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide?
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3732537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).