1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H17N3O2 — CID 168696812

IUPAC1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N)c(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C13H17N3O2/c1-7-3-8(2)12(14)10(4-7)16-6-9(13(15)18)5-11(16)17/h3-4,9H,5-6,14H2,1-2H3,(H2,15,18)
InChIKeyXQNZEWFRGKYGOH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696812) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696812
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(N)c(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C13H17N3O2/c1-7-3-8(2)12(14)10(4-7)16-6-9(13(15)18)5-11(16)17/h3-4,9H,5-6,14H2,1-2H3,(H2,15,18)
InChIKeyXQNZEWFRGKYGOH-UHFFFAOYSA-N
XLogP0.72
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696923
1-(2-amino-3,5-dimethylphenyl)-4-chloropyrrolidin-2-one
CID 168688113
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
1-(6-methoxy-4-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696979
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 94675568

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696812) is 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(N)c(N2CC(C(N)=O)CC2=O)c1.
What is the InChIKey of 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XQNZEWFRGKYGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-3-8(2)12(14)10(4-7)16-6-9(13(15)18)5-11(16)17/h3-4,9H,5-6,14H2,1-2H3,(H2,15,18).
What are the key properties of 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).