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

C14H23N3O2 — CID 81052279

IUPAC4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCCCN(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-10-9-12(13(14(18)19)11(2)16-10)15-7-5-6-8-17(3)4/h9H,5-8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyGIDDCQJRKZTFHX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.15
Rot. Bonds7

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

4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81052279) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81052279
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCCCN(C)C)c(C(=O)O)c(C)n1
InChIInChI=1S/C14H23N3O2/c1-10-9-12(13(14(18)19)11(2)16-10)15-7-5-6-8-17(3)4/h9H,5-8H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyGIDDCQJRKZTFHX-UHFFFAOYSA-N
XLogP2.15
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
CID 81051441
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114171477
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106423238
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060049
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855
2-[4-(dimethylamino)butylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429022

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81052279) is 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(NCCCCN(C)C)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is GIDDCQJRKZTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-12(13(14(18)19)11(2)16-10)15-7-5-6-8-17(3)4/h9H,5-8H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).