2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

C13H19N3O3 — CID 113380193

IUPAC2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(CC)CC(=O)NC)n1
InChIInChI=1S/C13H19N3O3/c1-4-10-6-9(13(18)19)7-11(15-10)16(5-2)8-12(17)14-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeySKMQKDWIDBGPCX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.91
Rot. Bonds6

About 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid

2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (PubChem CID 113380193) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
PubChem CID113380193
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(N(CC)CC(=O)NC)n1
InChIInChI=1S/C13H19N3O3/c1-4-10-6-9(13(18)19)7-11(15-10)16(5-2)8-12(17)14-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeySKMQKDWIDBGPCX-UHFFFAOYSA-N
XLogP0.91
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
2-[ethyl(2-methylprop-2-enyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380095
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
2-[2-hydroxyethyl(propyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380186
2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80809279

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid (CID 113380193) is 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(N(CC)CC(=O)NC)n1.
What is the InChIKey of 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is SKMQKDWIDBGPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-10-6-9(13(18)19)7-11(15-10)16(5-2)8-12(17)14-3/h6-7H,4-5,8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid?
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 113380193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).