5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide

C9H13N3O — CID 82503638

IUPAC5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN)c(C)n1
InChIInChI=1S/C9H13N3O/c1-6-7(5-10)3-4-8(12-6)9(13)11-2/h3-4H,5,10H2,1-2H3,(H,11,13)
InChIKeySQOFLIVPSUPBKR-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.21
Rot. Bonds2

About 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide

5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide (PubChem CID 82503638) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide
PubChem CID82503638
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN)c(C)n1
InChIInChI=1S/C9H13N3O/c1-6-7(5-10)3-4-8(12-6)9(13)11-2/h3-4H,5,10H2,1-2H3,(H,11,13)
InChIKeySQOFLIVPSUPBKR-UHFFFAOYSA-N
XLogP0.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-N,6-dimethylpyridine-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 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide (CID 82503638) is 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide is CNC(=O)c1ccc(CN)c(C)n1.
What is the InChIKey of 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is SQOFLIVPSUPBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-7(5-10)3-4-8(12-6)9(13)11-2/h3-4H,5,10H2,1-2H3,(H,11,13).
What are the key properties of 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide?
5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 82503638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).