3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid

C15H22N2O5 — CID 138673915

IUPAC3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid
SMILESCCC1=C(C(=O)O)NC(C(=O)O)=CC1(CC)N1CCOCC1
InChIInChI=1S/C15H22N2O5/c1-3-10-12(14(20)21)16-11(13(18)19)9-15(10,4-2)17-5-7-22-8-6-17/h9,16H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOEPPAPXQSBGVCP-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.79
Rot. Bonds5

About 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid

3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid (PubChem CID 138673915) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid
PubChem CID138673915
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid
SMILESCCC1=C(C(=O)O)NC(C(=O)O)=CC1(CC)N1CCOCC1
InChIInChI=1S/C15H22N2O5/c1-3-10-12(14(20)21)16-11(13(18)19)9-15(10,4-2)17-5-7-22-8-6-17/h9,16H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyOEPPAPXQSBGVCP-UHFFFAOYSA-N
XLogP0.79
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid?
The IUPAC name of 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid (CID 138673915) is 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid is CCC1=C(C(=O)O)NC(C(=O)O)=CC1(CC)N1CCOCC1.
What is the InChIKey of 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid?
The InChIKey is OEPPAPXQSBGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-3-10-12(14(20)21)16-11(13(18)19)9-15(10,4-2)17-5-7-22-8-6-17/h9,16H,3-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid?
3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-4-morpholin-4-yl-1H-pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 138673915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).