2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride

C18H24ClN3O — CID 119453913

IUPAC2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1c(C)cc(C(=O)NC2CCNC2)c1C.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-12-6-4-5-7-17(12)21-13(2)10-16(14(21)3)18(22)20-15-8-9-19-11-15;/h4-7,10,15,19H,8-9,11H2,1-3H3,(H,20,22);1H
InChIKeyQXERVUGFFHRTQS-UHFFFAOYSA-N
MW333.86 g/mol
LogP2.92
Rot. Bonds3

About 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride

2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119453913) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
PubChem CID119453913
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1c(C)cc(C(=O)NC2CCNC2)c1C.Cl
InChIInChI=1S/C18H23N3O.ClH/c1-12-6-4-5-7-17(12)21-13(2)10-16(14(21)3)18(22)20-15-8-9-19-11-15;/h4-7,10,15,19H,8-9,11H2,1-3H3,(H,20,22);1H
InChIKeyQXERVUGFFHRTQS-UHFFFAOYSA-N
XLogP2.92
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
cis-(1R,3S)-3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678201
1-(3-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453392
1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
N,2,5-trimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119554350
N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119444278
N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 25394128
1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119389561
[2-(cyclopropylamino)-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 47003761
N-(2-acetamidoethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 167775581
1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119425757
2,5-dimethyl-N-piperidin-3-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119427645

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride (CID 119453913) is 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride is Cc1ccccc1-n1c(C)cc(C(=O)NC2CCNC2)c1C.Cl.
What is the InChIKey of 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is QXERVUGFFHRTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.ClH/c1-12-6-4-5-7-17(12)21-13(2)10-16(14(21)3)18(22)20-15-8-9-19-11-15;/h4-7,10,15,19H,8-9,11H2,1-3H3,(H,20,22);1H.
What are the key properties of 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride?
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119453913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).