N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C13H19ClN2O — CID 119670575

IUPACN-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CCNC2)c1C.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-4-3-5-12(10(9)2)15-13(16)11-6-7-14-8-11;/h3-5,11,14H,6-8H2,1-2H3,(H,15,16);1H
InChIKeyWYDDAMYFXQVHHG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.27
Rot. Bonds2

About N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119670575) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119670575
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CCNC2)c1C.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9-4-3-5-12(10(9)2)15-13(16)11-6-7-14-8-11;/h3-5,11,14H,6-8H2,1-2H3,(H,15,16);1H
InChIKeyWYDDAMYFXQVHHG-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119670575) is N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1cccc(NC(=O)C2CCNC2)c1C.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is WYDDAMYFXQVHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9-4-3-5-12(10(9)2)15-13(16)11-6-7-14-8-11;/h3-5,11,14H,6-8H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).