2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid

C12H18N2O2 — CID 60678719

IUPAC2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCCCNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-13-11-10(12(15)16)8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUOOVKTVAEYCWJL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.61
Rot. Bonds5

About 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 60678719) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID60678719
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCCCCNc1nc(C)cc(C)c1C(=O)O
InChIInChI=1S/C12H18N2O2/c1-4-5-6-13-11-10(12(15)16)8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUOOVKTVAEYCWJL-UHFFFAOYSA-N
XLogP2.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-(propylamino)pyridine-3-carboxylic acid
CID 60678505
2-(3-ethoxypropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60677761
2-(2-aminoethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61403084
4,6-dimethyl-2-(4-methylsulfanylbutylamino)pyridine-3-carboxylic acid
CID 113487696
4,6-dimethyl-2-(5-methylsulfanylpentylamino)pyridine-3-carboxylic acid
CID 114127926
2-[(3-amino-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 54896880
4,6-dimethyl-2-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 61003705
4,6-dimethyl-2-(2-methylbutan-2-ylamino)pyridine-3-carboxylic acid
CID 60677525
4,6-dimethyl-2-(2-methylbutylamino)pyridine-3-carboxylic acid
CID 62691835
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906544
2-(butan-2-ylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678486
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 106278036

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 60678719) is 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid is CCCCNc1nc(C)cc(C)c1C(=O)O.
What is the InChIKey of 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is UOOVKTVAEYCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-5-6-13-11-10(12(15)16)8(2)7-9(3)14-11/h7H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 60678719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).