2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide

C13H21N3O — CID 114290830

IUPAC2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C13H21N3O/c1-5-13(4,8-14)12(17)16-11-7-6-9(2)15-10(11)3/h6-7H,5,8,14H2,1-4H3,(H,16,17)
InChIKeyWFMZJZCAPIMTCI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds4

About 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide

2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide (PubChem CID 114290830) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide
PubChem CID114290830
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1ccc(C)nc1C
InChIInChI=1S/C13H21N3O/c1-5-13(4,8-14)12(17)16-11-7-6-9(2)15-10(11)3/h6-7H,5,8,14H2,1-4H3,(H,16,17)
InChIKeyWFMZJZCAPIMTCI-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide 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 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide (CID 114290830) is 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide is CCC(C)(CN)C(=O)Nc1ccc(C)nc1C.
What is the InChIKey of 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide?
The InChIKey is WFMZJZCAPIMTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-13(4,8-14)12(17)16-11-7-6-9(2)15-10(11)3/h6-7H,5,8,14H2,1-4H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 114290830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).