1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide

C13H20N4O — CID 43574359

IUPAC1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncccc1CN
InChIInChI=1S/C13H20N4O/c1-16(2)13(18)11-6-4-8-17(11)12-10(9-14)5-3-7-15-12/h3,5,7,11H,4,6,8-9,14H2,1-2H3
InChIKeyDDUGPHJJLQMKJA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.60
Rot. Bonds3

About 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43574359) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43574359
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncccc1CN
InChIInChI=1S/C13H20N4O/c1-16(2)13(18)11-6-4-8-17(11)12-10(9-14)5-3-7-15-12/h3,5,7,11H,4,6,8-9,14H2,1-2H3
InChIKeyDDUGPHJJLQMKJA-UHFFFAOYSA-N
XLogP0.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 43574359) is 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ncccc1CN.
What is the InChIKey of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is DDUGPHJJLQMKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)13(18)11-6-4-8-17(11)12-10(9-14)5-3-7-15-12/h3,5,7,11H,4,6,8-9,14H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43574359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).