2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide

C13H19N3O3 — CID 134025519

IUPAC2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC(C)NN2)c1OC
InChIInChI=1S/C13H19N3O3/c1-8-7-11(16-15-8)14-13(17)9-5-4-6-10(18-2)12(9)19-3/h4-6,8,11,15-16H,7H2,1-3H3,(H,14,17)
InChIKeyZXYNGJFRMNPYLV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.65
Rot. Bonds4

About 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide

2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide (PubChem CID 134025519) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide
PubChem CID134025519
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC(C)NN2)c1OC
InChIInChI=1S/C13H19N3O3/c1-8-7-11(16-15-8)14-13(17)9-5-4-6-10(18-2)12(9)19-3/h4-6,8,11,15-16H,7H2,1-3H3,(H,14,17)
InChIKeyZXYNGJFRMNPYLV-UHFFFAOYSA-N
XLogP0.65
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dimethoxybenzamide;hydrochloride
CID 172910364
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
2,3-dimethoxy-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 31061522
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide (CID 134025519) is 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide is COc1cccc(C(=O)NC2CC(C)NN2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide?
The InChIKey is ZXYNGJFRMNPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-7-11(16-15-8)14-13(17)9-5-4-6-10(18-2)12(9)19-3/h4-6,8,11,15-16H,7H2,1-3H3,(H,14,17).
What are the key properties of 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide?
2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(5-methylpyrazolidin-3-yl)benzamide is sourced from PubChem (CID 134025519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).