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

C12H18N2O2 — CID 58418069

IUPAC2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(CC)CC)n1
InChIInChI=1S/C12H18N2O2/c1-4-10-7-9(12(15)16)8-11(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyITZMAVAQQSVQCK-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.19
Rot. Bonds5

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

2-(diethylamino)-6-ethylpyridine-4-carboxylic acid (PubChem CID 58418069) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
PubChem CID58418069
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(CC)CC)n1
InChIInChI=1S/C12H18N2O2/c1-4-10-7-9(12(15)16)8-11(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyITZMAVAQQSVQCK-UHFFFAOYSA-N
XLogP2.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380186
2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 113380132
2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
CID 84692631
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241
6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67453556
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid (CID 58418069) is 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(N(CC)CC)n1.
What is the InChIKey of 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is ITZMAVAQQSVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-10-7-9(12(15)16)8-11(13-10)14(5-2)6-3/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid?
2-(diethylamino)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 58418069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).