N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride

C15H18ClN3O3 — CID 119552387

IUPACN,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
SMILESCN1C(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2C1=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-17(10-5-6-16-8-10)13(19)9-3-4-11-12(7-9)15(21)18(2)14(11)20;/h3-4,7,10,16H,5-6,8H2,1-2H3;1H
InChIKeyNLPWEHLEBAMGEX-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.77
Rot. Bonds2

About N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride

N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride (PubChem CID 119552387) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
PubChem CID119552387
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
SMILESCN1C(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2C1=O.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-17(10-5-6-16-8-10)13(19)9-3-4-11-12(7-9)15(21)18(2)14(11)20;/h3-4,7,10,16H,5-6,8H2,1-2H3;1H
InChIKeyNLPWEHLEBAMGEX-UHFFFAOYSA-N
XLogP0.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-butyl-N-methyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide
CID 119553699
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119550148
N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-methyl-1,1,3-trioxo-2-(oxolan-2-ylmethyl)-N-pyrrolidin-3-yl-1,2-benzothiazole-6-carboxamide;hydrochloride
CID 119550211
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride (CID 119552387) is N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride is CN1C(=O)c2ccc(C(=O)N(C)C3CCNC3)cc2C1=O.Cl.
What is the InChIKey of N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
The InChIKey is NLPWEHLEBAMGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c1-17(10-5-6-16-8-10)13(19)9-3-4-11-12(7-9)15(21)18(2)14(11)20;/h3-4,7,10,16H,5-6,8H2,1-2H3;1H.
What are the key properties of N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride?
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119552387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).