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

C14H22N2O2 — CID 81053067

IUPAC4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCCCCCNc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-4-5-6-7-8-15-12-9-10(2)16-11(3)13(12)14(17)18/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYMSDCJDSBTYVMO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.39
Rot. Bonds7

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

4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053067) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053067
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCCCCCNc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O2/c1-4-5-6-7-8-15-12-9-10(2)16-11(3)13(12)14(17)18/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYMSDCJDSBTYVMO-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.39
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-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
2,6-dimethyl-4-(octylamino)pyridine-3-carbothioamide
CID 115568255
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
CID 81051441
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114171477
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
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
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106423238
4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114102024
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855

Frequently Asked Questions

What is the IUPAC name of 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid (CID 81053067) is 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid is CCCCCCNc1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is YMSDCJDSBTYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-7-8-15-12-9-10(2)16-11(3)13(12)14(17)18/h9H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid?
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).