2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide

C15H19N3O — CID 67403099

IUPAC2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(C)n2C)c1N
InChIInChI=1S/C15H19N3O/c1-10-5-4-6-13(14(10)16)15(19)17-9-12-8-7-11(2)18(12)3/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyIOXZASSRSHQAQJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide

2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide (PubChem CID 67403099) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
PubChem CID67403099
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(C)n2C)c1N
InChIInChI=1S/C15H19N3O/c1-10-5-4-6-13(14(10)16)15(19)17-9-12-8-7-11(2)18(12)3/h4-8H,9,16H2,1-3H3,(H,17,19)
InChIKeyIOXZASSRSHQAQJ-UHFFFAOYSA-N
XLogP2.15
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide (CID 67403099) is 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(C)n2C)c1N.
What is the InChIKey of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide?
The InChIKey is IOXZASSRSHQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-4-6-13(14(10)16)15(19)17-9-12-8-7-11(2)18(12)3/h4-8H,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide?
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 67403099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).