4,6-dimorpholin-4-ylpyridine-2-carboxylic acid

C14H19N3O4 — CID 66682269

IUPAC4,6-dimorpholin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H19N3O4/c18-14(19)12-9-11(16-1-5-20-6-2-16)10-13(15-12)17-3-7-21-8-4-17/h9-10H,1-8H2,(H,18,19)
InChIKeyMHTDBGPKPAKEMK-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.45
Rot. Bonds3

About 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid

4,6-dimorpholin-4-ylpyridine-2-carboxylic acid (PubChem CID 66682269) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimorpholin-4-ylpyridine-2-carboxylic acid
PubChem CID66682269
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4,6-dimorpholin-4-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H19N3O4/c18-14(19)12-9-11(16-1-5-20-6-2-16)10-13(15-12)17-3-7-21-8-4-17/h9-10H,1-8H2,(H,18,19)
InChIKeyMHTDBGPKPAKEMK-UHFFFAOYSA-N
XLogP0.45
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid (CID 66682269) is 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid is O=C(O)c1cc(N2CCOCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid?
The InChIKey is MHTDBGPKPAKEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-14(19)12-9-11(16-1-5-20-6-2-16)10-13(15-12)17-3-7-21-8-4-17/h9-10H,1-8H2,(H,18,19).
What are the key properties of 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid?
4,6-dimorpholin-4-ylpyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 66682269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).