4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride

C16H24ClN3O2 — CID 119537522

IUPAC4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-19(2)16(21)14-5-3-13(4-6-14)15(20)18-10-8-12-7-9-17-11-12;/h3-6,12,17H,7-11H2,1-2H3,(H,18,20);1H
InChIKeyQRYJQIGZAHXNPJ-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.54
Rot. Bonds5

About 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride

4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 119537522) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
PubChem CID119537522
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-19(2)16(21)14-5-3-13(4-6-14)15(20)18-10-8-12-7-9-17-11-12;/h3-6,12,17H,7-11H2,1-2H3,(H,18,20);1H
InChIKeyQRYJQIGZAHXNPJ-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
4-[ethyl(propyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533737
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-(tert-butylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534198
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-(difluoromethylsulfonyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535414
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride (CID 119537522) is 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride is CN(C)C(=O)c1ccc(C(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is QRYJQIGZAHXNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-19(2)16(21)14-5-3-13(4-6-14)15(20)18-10-8-12-7-9-17-11-12;/h3-6,12,17H,7-11H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride?
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119537522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).