4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide

C13H19N3O — CID 63301451

IUPAC4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C1CCNC1
InChIInChI=1S/C13H19N3O/c1-16(12-6-7-15-8-12)9-10-2-4-11(5-3-10)13(14)17/h2-5,12,15H,6-9H2,1H3,(H2,14,17)
InChIKeyBKWBQLXOEKYXMP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.58
Rot. Bonds4

About 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide

4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide (PubChem CID 63301451) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
PubChem CID63301451
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C1CCNC1
InChIInChI=1S/C13H19N3O/c1-16(12-6-7-15-8-12)9-10-2-4-11(5-3-10)13(14)17/h2-5,12,15H,6-9H2,1H3,(H2,14,17)
InChIKeyBKWBQLXOEKYXMP-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzamide
CID 47129854
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzamide
CID 106640797
4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
CID 54870661
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide (CID 63301451) is 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)C1CCNC1.
What is the InChIKey of 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide?
The InChIKey is BKWBQLXOEKYXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(12-6-7-15-8-12)9-10-2-4-11(5-3-10)13(14)17/h2-5,12,15H,6-9H2,1H3,(H2,14,17).
What are the key properties of 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide?
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 63301451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).