1-benzyl-2,5-dimethylpyrrole-3-carboxamide

C14H16N2O — CID 47108355

IUPAC1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C14H16N2O/c1-10-8-13(14(15)17)11(2)16(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKeyVPWDBWUMJJDGLK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.25
Rot. Bonds3

About 1-benzyl-2,5-dimethylpyrrole-3-carboxamide

1-benzyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 47108355) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID47108355
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C14H16N2O/c1-10-8-13(14(15)17)11(2)16(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKeyVPWDBWUMJJDGLK-UHFFFAOYSA-N
XLogP2.25
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 118871370
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46819165
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]propanoic acid
CID 119208694
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854113
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(1-benzyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2458488
1-benzyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 23855308

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethylpyrrole-3-carboxamide (CID 47108355) is 1-benzyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(N)=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is VPWDBWUMJJDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-8-13(14(15)17)11(2)16(10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,15,17).
What are the key properties of 1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
1-benzyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 47108355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).