4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C15H21N3O2 — CID 63715280

IUPAC4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)C2CNCC2C)c1
InChIInChI=1S/C15H21N3O2/c1-9-4-5-11(14(19)16-3)6-13(9)18-15(20)12-8-17-7-10(12)2/h4-6,10,12,17H,7-8H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyBXONANYSJOEMRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63715280) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63715280
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)C2CNCC2C)c1
InChIInChI=1S/C15H21N3O2/c1-9-4-5-11(14(19)16-3)6-13(9)18-15(20)12-8-17-7-10(12)2/h4-6,10,12,17H,7-8H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyBXONANYSJOEMRS-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 63715280) is 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)C2CNCC2C)c1.
What is the InChIKey of 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BXONANYSJOEMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-4-5-11(14(19)16-3)6-13(9)18-15(20)12-8-17-7-10(12)2/h4-6,10,12,17H,7-8H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63715280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).