4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C14H21N3O — CID 110473663

IUPAC4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCC2CCCN2C)ccc1N
InChIInChI=1S/C14H21N3O/c1-10-8-11(5-6-13(10)15)14(18)16-9-12-4-3-7-17(12)2/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyDFXIMGHTBPNHHT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds3

About 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 110473663) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID110473663
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCC2CCCN2C)ccc1N
InChIInChI=1S/C14H21N3O/c1-10-8-11(5-6-13(10)15)14(18)16-9-12-4-3-7-17(12)2/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyDFXIMGHTBPNHHT-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]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

4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-(chloromethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137648
3-methyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021097
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106021758
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 110473663) is 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is Cc1cc(C(=O)NCC2CCCN2C)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is DFXIMGHTBPNHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11(5-6-13(10)15)14(18)16-9-12-4-3-7-17(12)2/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 110473663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).