2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide

C13H19N3O — CID 55167908

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
SMILESCNCC1CCN(c2ccccc2C(N)=O)C1
InChIInChI=1S/C13H19N3O/c1-15-8-10-6-7-16(9-10)12-5-3-2-4-11(12)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)
InChIKeyJHRPGCSHBLBBFT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.83
Rot. Bonds4

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide

2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide (PubChem CID 55167908) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
PubChem CID55167908
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
SMILESCNCC1CCN(c2ccccc2C(N)=O)C1
InChIInChI=1S/C13H19N3O/c1-15-8-10-6-7-16(9-10)12-5-3-2-4-11(12)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17)
InChIKeyJHRPGCSHBLBBFT-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitrobenzamide
CID 63267846
4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 63267311
2-[1-(2-carbamoylphenyl)piperidin-4-yl]acetic acid
CID 79608319
2-[(3R)-3-[[(2S)-2-methylpentanoyl]amino]pyrrolidin-1-yl]benzamide
CID 97212587
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]benzoic acid
CID 129494363
2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
CID 176898478
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide (CID 55167908) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide is CNCC1CCN(c2ccccc2C(N)=O)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide?
The InChIKey is JHRPGCSHBLBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-8-10-6-7-16(9-10)12-5-3-2-4-11(12)13(14)17/h2-5,10,15H,6-9H2,1H3,(H2,14,17).
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 55167908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).