2-(diethylamino)-6-methylpyridine-4-carboxylic acid

C11H16N2O2 — CID 58418055

IUPAC2-(diethylamino)-6-methylpyridine-4-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)cc(C)n1
InChIInChI=1S/C11H16N2O2/c1-4-13(5-2)10-7-9(11(14)15)6-8(3)12-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyDFRFWYRUJSTHKY-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds4

About 2-(diethylamino)-6-methylpyridine-4-carboxylic acid

2-(diethylamino)-6-methylpyridine-4-carboxylic acid (PubChem CID 58418055) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(diethylamino)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-6-methylpyridine-4-carboxylic acid
PubChem CID58418055
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(diethylamino)-6-methylpyridine-4-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)cc(C)n1
InChIInChI=1S/C11H16N2O2/c1-4-13(5-2)10-7-9(11(14)15)6-8(3)12-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyDFRFWYRUJSTHKY-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-cyano-6-methyl-2-piperidinoisonicotinate
CID 2813163
2,6-Dimethylpyridine-4-carboxylic acid
CID 4531896
6-Amino-2-ethylpyridine-3-carboxylic acid
CID 22019116
3-[(4,6-Dimethylpyrimidin-2-yl)(methyl)amino]benzoic acid
CID 2736305
2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
6-Methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 14929599
6-(Dipropylamino)pyridine-3-carboxylic acid
CID 16775596
2-Dimethylamino-isonicotinic acid
CID 6484234
2,6-Diaminopyridine-4-carboxylic acid
CID 236987
2-(4-Methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(3-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 6496940
2-(Ethylamino)pyridine-4-carboxylic acid
CID 23454818

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(diethylamino)-6-methylpyridine-4-carboxylic acid (CID 58418055) is 2-(diethylamino)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-6-methylpyridine-4-carboxylic acid is CCN(CC)c1cc(C(=O)O)cc(C)n1.
What is the InChIKey of 2-(diethylamino)-6-methylpyridine-4-carboxylic acid?
The InChIKey is DFRFWYRUJSTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-13(5-2)10-7-9(11(14)15)6-8(3)12-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(diethylamino)-6-methylpyridine-4-carboxylic acid?
2-(diethylamino)-6-methylpyridine-4-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 58418055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).