N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide

C14H17N3O — CID 66409354

IUPACN-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNCc2cc[nH]c2)cc1
InChIInChI=1S/C14H17N3O/c1-15-14(18)13-4-2-11(3-5-13)8-17-10-12-6-7-16-9-12/h2-7,9,16-17H,8,10H2,1H3,(H,15,18)
InChIKeyYJFNYYPWVMXAKX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.66
Rot. Bonds5

About N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide

N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide (PubChem CID 66409354) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
PubChem CID66409354
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
SMILESCNC(=O)c1ccc(CNCc2cc[nH]c2)cc1
InChIInChI=1S/C14H17N3O/c1-15-14(18)13-4-2-11(3-5-13)8-17-10-12-6-7-16-9-12/h2-7,9,16-17H,8,10H2,1H3,(H,15,18)
InChIKeyYJFNYYPWVMXAKX-UHFFFAOYSA-N
XLogP1.66
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-[(1H-pyrrol-3-ylmethylamino)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-[(1H-pyrrol-3-ylmethylamino)methyl]phenol
CID 115686154
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
4-[(1H-pyrrol-3-ylmethylamino)methyl]aniline
CID 115212481
5-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
CID 63316587
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
CID 28620047
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
1-methyl-4-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]pyrazole-5-carboxylic acid
CID 166253855
N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
CID 66130279

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide?
The IUPAC name of N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide (CID 66409354) is N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide is CNC(=O)c1ccc(CNCc2cc[nH]c2)cc1.
What is the InChIKey of N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide?
The InChIKey is YJFNYYPWVMXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-14(18)13-4-2-11(3-5-13)8-17-10-12-6-7-16-9-12/h2-7,9,16-17H,8,10H2,1H3,(H,15,18).
What are the key properties of N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide?
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 66409354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).