2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide

C22H22N4O — CID 18286150

IUPAC2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CNc2ccccc2)n(Cc2ccccc2)c1C
InChIInChI=1S/C22H22N4O/c1-16-17(2)26(15-18-9-5-3-6-10-18)22(20(16)13-23)25-21(27)14-24-19-11-7-4-8-12-19/h3-12,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyPVZJTVLTWVKPTF-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.08
Rot. Bonds6

About 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide

2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide (PubChem CID 18286150) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide
PubChem CID18286150
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide
SMILESCc1c(C#N)c(NC(=O)CNc2ccccc2)n(Cc2ccccc2)c1C
InChIInChI=1S/C22H22N4O/c1-16-17(2)26(15-18-9-5-3-6-10-18)22(20(16)13-23)25-21(27)14-24-19-11-7-4-8-12-19/h3-12,24H,14-15H2,1-2H3,(H,25,27)
InChIKeyPVZJTVLTWVKPTF-UHFFFAOYSA-N
XLogP4.08
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 52727964
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(N-methylanilino)acetamide
CID 9250327
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 24521775
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 46646930
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-morpholin-4-ylacetamide
CID 9275787
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[(2-methylcyclohexyl)amino]acetamide
CID 112798408
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(2-methoxyanilino)acetamide
CID 9273951
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 27265237
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[cyclohexyl(methyl)amino]acetamide
CID 9275141
2-benzylsulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide
CID 9459463
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248261
N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)thiophene-2-carboxamide
CID 4552301

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide?
The IUPAC name of 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide (CID 18286150) is 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide?
The canonical SMILES for 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide is Cc1c(C#N)c(NC(=O)CNc2ccccc2)n(Cc2ccccc2)c1C.
What is the InChIKey of 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide?
The InChIKey is PVZJTVLTWVKPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-17(2)26(15-18-9-5-3-6-10-18)22(20(16)13-23)25-21(27)14-24-19-11-7-4-8-12-19/h3-12,24H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide?
2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide is sourced from PubChem (CID 18286150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).