1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide

C22H25N3O — CID 4669918

IUPAC1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C22H25N3O/c1-15-20(18-10-12-19(13-11-18)24(3)4)21(22(23)26)16(2)25(15)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H2,23,26)
InChIKeyJBWZZMIKASALMJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds5

About 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide

1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 4669918) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID4669918
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C22H25N3O/c1-15-20(18-10-12-19(13-11-18)24(3)4)21(22(23)26)16(2)25(15)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H2,23,26)
InChIKeyJBWZZMIKASALMJ-UHFFFAOYSA-N
XLogP3.99
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4597085
1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3340286
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798
methyl 1-benzyl-4-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 102498013
1-benzyl-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3731786
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 4669918) is 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc(N(C)C)cc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JBWZZMIKASALMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-20(18-10-12-19(13-11-18)24(3)4)21(22(23)26)16(2)25(15)14-17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H2,23,26).
What are the key properties of 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 4669918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).