N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C17H24ClN3O2 — CID 119715831

IUPACN-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CCNC2)c1C(=O)N1CCCC1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-12-5-4-6-14(19-16(21)13-7-8-18-11-13)15(12)17(22)20-9-2-3-10-20;/h4-6,13,18H,2-3,7-11H2,1H3,(H,19,21);1H
InChIKeyLKWQPPZZNYUITI-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.20
Rot. Bonds3

About N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119715831) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119715831
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)C2CCNC2)c1C(=O)N1CCCC1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-12-5-4-6-14(19-16(21)13-7-8-18-11-13)15(12)17(22)20-9-2-3-10-20;/h4-6,13,18H,2-3,7-11H2,1H3,(H,19,21);1H
InChIKeyLKWQPPZZNYUITI-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715827
4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119715831) is N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1cccc(NC(=O)C2CCNC2)c1C(=O)N1CCCC1.Cl.
What is the InChIKey of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LKWQPPZZNYUITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-12-5-4-6-14(19-16(21)13-7-8-18-11-13)15(12)17(22)20-9-2-3-10-20;/h4-6,13,18H,2-3,7-11H2,1H3,(H,19,21);1H.
What are the key properties of N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119715831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).