N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide

C15H19N3O — CID 55039467

IUPACN,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NCc2cccn2C)c1
InChIInChI=1S/C15H19N3O/c1-17(2)15(19)12-6-4-7-13(10-12)16-11-14-8-5-9-18(14)3/h4-10,16H,11H2,1-3H3
InChIKeyYSZAXWYPCNUYGQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.34
Rot. Bonds4

About N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide

N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide (PubChem CID 55039467) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
PubChem CID55039467
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NCc2cccn2C)c1
InChIInChI=1S/C15H19N3O/c1-17(2)15(19)12-6-4-7-13(10-12)16-11-14-8-5-9-18(14)3/h4-10,16H,11H2,1-3H3
InChIKeyYSZAXWYPCNUYGQ-UHFFFAOYSA-N
XLogP2.34
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 102833214
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62129273
1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
CID 62133510
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 75433082
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide (CID 55039467) is N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide is CN(C)C(=O)c1cccc(NCc2cccn2C)c1.
What is the InChIKey of N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide?
The InChIKey is YSZAXWYPCNUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(2)15(19)12-6-4-7-13(10-12)16-11-14-8-5-9-18(14)3/h4-10,16H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide?
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide is sourced from PubChem (CID 55039467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).