2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid

C16H18N2O2 — CID 81051961

IUPAC2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCCc2ccccc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H18N2O2/c1-11-10-14(15(16(19)20)12(2)18-11)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXKQPLXDIXWILDD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.05
Rot. Bonds5

About 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid

2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid (PubChem CID 81051961) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
PubChem CID81051961
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCCc2ccccc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H18N2O2/c1-11-10-14(15(16(19)20)12(2)18-11)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXKQPLXDIXWILDD-UHFFFAOYSA-N
XLogP3.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81035906
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-carboxylic acid
CID 81052116
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
CID 81051441
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889
2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
CID 81053456
4-[3-(2-hydroxyethoxy)propylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114171477
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid (CID 81051961) is 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid is Cc1cc(NCCc2ccccc2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid?
The InChIKey is XKQPLXDIXWILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-10-14(15(16(19)20)12(2)18-11)17-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81051961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).