3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C13H19ClN2O — CID 119670460

IUPAC3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1NC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-5-3-4-6-11(10)15-12(16)13(2)7-8-14-9-13;/h3-6,14H,7-9H2,1-2H3,(H,15,16);1H
InChIKeyPGAUOKBCJRWXNU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride

3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119670460) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119670460
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccccc1NC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-5-3-4-6-11(10)15-12(16)13(2)7-8-14-9-13;/h3-6,14H,7-9H2,1-2H3,(H,15,16);1H
InChIKeyPGAUOKBCJRWXNU-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139378
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63140356
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
2-(3-fluoropyrrolidin-3-yl)-N-(2-methylphenyl)acetamide
CID 84727341
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119943653
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119670460) is 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1ccccc1NC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PGAUOKBCJRWXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10-5-3-4-6-11(10)15-12(16)13(2)7-8-14-9-13;/h3-6,14H,7-9H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).