2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid

C13H16N2O4 — CID 122055971

IUPAC2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
SMILESCC1OCCN(C(=O)c2cc(C(=O)O)ccn2)C1C
InChIInChI=1S/C13H16N2O4/c1-8-9(2)19-6-5-15(8)12(16)11-7-10(13(17)18)3-4-14-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyVWJFNLSCHUECQH-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.03
Rot. Bonds2

About 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid

2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122055971) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
PubChem CID122055971
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
SMILESCC1OCCN(C(=O)c2cc(C(=O)O)ccn2)C1C
InChIInChI=1S/C13H16N2O4/c1-8-9(2)19-6-5-15(8)12(16)11-7-10(13(17)18)3-4-14-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyVWJFNLSCHUECQH-UHFFFAOYSA-N
XLogP1.03
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056228
(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
CID 110727735
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
(2,3-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 110727739
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
N-[4-(2,3-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 110744443
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218
2-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 21061889
[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
CID 154806194
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122116403

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid (CID 122055971) is 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid is CC1OCCN(C(=O)c2cc(C(=O)O)ccn2)C1C.
What is the InChIKey of 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is VWJFNLSCHUECQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-9(2)19-6-5-15(8)12(16)11-7-10(13(17)18)3-4-14-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid?
2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).