4-[(1-methylpyrrol-3-yl)methylamino]benzamide

C13H15N3O — CID 66397859

IUPAC4-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCn1ccc(CNc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C13H15N3O/c1-16-7-6-10(9-16)8-15-12-4-2-11(3-5-12)13(14)17/h2-7,9,15H,8H2,1H3,(H2,14,17)
InChIKeyUFSPSTGIAVZZMS-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.74
Rot. Bonds4

About 4-[(1-methylpyrrol-3-yl)methylamino]benzamide

4-[(1-methylpyrrol-3-yl)methylamino]benzamide (PubChem CID 66397859) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[(1-methylpyrrol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(1-methylpyrrol-3-yl)methylamino]benzamide
PubChem CID66397859
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCn1ccc(CNc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C13H15N3O/c1-16-7-6-10(9-16)8-15-12-4-2-11(3-5-12)13(14)17/h2-7,9,15H,8H2,1H3,(H2,14,17)
InChIKeyUFSPSTGIAVZZMS-UHFFFAOYSA-N
XLogP1.74
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-methylpyrrol-3-yl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(1-methylpyrrol-3-yl)methylamino]benzoate
CID 66397874
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 66397431
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 66415335
4-fluoro-3-[(1-methylpyrrol-3-yl)methylamino]benzoic acid
CID 66398973
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The IUPAC name of 4-[(1-methylpyrrol-3-yl)methylamino]benzamide (CID 66397859) is 4-[(1-methylpyrrol-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The canonical SMILES for 4-[(1-methylpyrrol-3-yl)methylamino]benzamide is Cn1ccc(CNc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The InChIKey is UFSPSTGIAVZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-7-6-10(9-16)8-15-12-4-2-11(3-5-12)13(14)17/h2-7,9,15H,8H2,1H3,(H2,14,17).
What are the key properties of 4-[(1-methylpyrrol-3-yl)methylamino]benzamide?
4-[(1-methylpyrrol-3-yl)methylamino]benzamide has a molecular weight of 229.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrol-3-yl)methylamino]benzamide is sourced from PubChem (CID 66397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).