3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide

C13H15N3O — CID 78913286

IUPAC3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1NC(=O)c1cccc(N)c1
InChIInChI=1S/C13H15N3O/c1-9-6-7-10(2)16(9)15-13(17)11-4-3-5-12(14)8-11/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyFMSSOAGMNWIZIC-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.07
Rot. Bonds2

About 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide

3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 78913286) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID78913286
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1NC(=O)c1cccc(N)c1
InChIInChI=1S/C13H15N3O/c1-9-6-7-10(2)16(9)15-13(17)11-4-3-5-12(14)8-11/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyFMSSOAGMNWIZIC-UHFFFAOYSA-N
XLogP2.07
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
CID 46837358
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CID 113266907
N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 900701
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
N-[(3-aminobenzoyl)amino]formamide
CID 142270401
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
CID 95423867
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide (CID 78913286) is 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide is Cc1ccc(C)n1NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is FMSSOAGMNWIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-6-7-10(2)16(9)15-13(17)11-4-3-5-12(14)8-11/h3-8H,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide?
3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 229.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 78913286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).