3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide

C14H21N3O — CID 47375158

IUPAC3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C14H21N3O/c1-16(2)13-6-4-5-11(9-13)14(18)15-12-7-8-17(3)10-12/h4-6,9,12H,7-8,10H2,1-3H3,(H,15,18)
InChIKeyVGXRLXPPSYVGEL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.19
Rot. Bonds3

About 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide

3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 47375158) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID47375158
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C14H21N3O/c1-16(2)13-6-4-5-11(9-13)14(18)15-12-7-8-17(3)10-12/h4-6,9,12H,7-8,10H2,1-3H3,(H,15,18)
InChIKeyVGXRLXPPSYVGEL-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
3-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51240308
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
3-[N-acetyl-3-[(1-methylazetidin-3-yl)carbamoyl]anilino]pyrrolidine-1-carboxylic acid
CID 146213122
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741585
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-(dimethylamino)benzamide
CID 99741295
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide (CID 47375158) is 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is VGXRLXPPSYVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)13-6-4-5-11(9-13)14(18)15-12-7-8-17(3)10-12/h4-6,9,12H,7-8,10H2,1-3H3,(H,15,18).
What are the key properties of 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 47375158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).