2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide

C13H19N3O — CID 79384606

IUPAC2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCNC2C)n1
InChIInChI=1S/C13H19N3O/c1-9-4-3-5-11(16-9)8-15-13(17)12-6-7-14-10(12)2/h3-5,10,12,14H,6-8H2,1-2H3,(H,15,17)
InChIKeyCAFTVVTTYRHXQI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.00
Rot. Bonds3

About 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide

2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 79384606) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID79384606
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCNC2C)n1
InChIInChI=1S/C13H19N3O/c1-9-4-3-5-11(16-9)8-15-13(17)12-6-7-14-10(12)2/h3-5,10,12,14H,6-8H2,1-2H3,(H,15,17)
InChIKeyCAFTVVTTYRHXQI-UHFFFAOYSA-N
XLogP1.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 79384606) is 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCNC2C)n1.
What is the InChIKey of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CAFTVVTTYRHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-3-5-11(16-9)8-15-13(17)12-6-7-14-10(12)2/h3-5,10,12,14H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79384606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).