4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

C14H22N2O3 — CID 81053541

IUPAC4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCC(CCO)CNc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-4-11(5-6-17)8-15-12-7-9(2)16-10(3)13(12)14(18)19/h7,11,17H,4-6,8H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyXFPXCEXGRRDQME-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.22
Rot. Bonds7

About 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81053541) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81053541
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCCC(CCO)CNc1cc(C)nc(C)c1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-4-11(5-6-17)8-15-12-7-9(2)16-10(3)13(12)14(18)19/h7,11,17H,4-6,8H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyXFPXCEXGRRDQME-UHFFFAOYSA-N
XLogP2.22
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114102024
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
2,6-dimethyl-4-(2-methylpentan-3-ylamino)pyridine-3-carboxylic acid
CID 81051750
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
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
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
3-[[(8-fluoro-2-methylquinolin-4-yl)amino]methyl]pentan-1-ol
CID 133368901

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81053541) is 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is CCC(CCO)CNc1cc(C)nc(C)c1C(=O)O.
What is the InChIKey of 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is XFPXCEXGRRDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11(5-6-17)8-15-12-7-9(2)16-10(3)13(12)14(18)19/h7,11,17H,4-6,8H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81053541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).