2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid

C14H18N2O4 — CID 63614082

IUPAC2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-10-8-20-9(2)7-16(10)13(17)12-11(14(18)19)5-4-6-15-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19)
InChIKeySHJYXOXOTCJLPF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.42
Rot. Bonds3

About 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid

2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63614082) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
PubChem CID63614082
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-10-8-20-9(2)7-16(10)13(17)12-11(14(18)19)5-4-6-15-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19)
InChIKeySHJYXOXOTCJLPF-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 107523930
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584
(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103800414
(5-ethyl-2-methylmorpholin-4-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 81256295
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid (CID 63614082) is 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid is CCC1COC(C)CN1C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is SHJYXOXOTCJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-10-8-20-9(2)7-16(10)13(17)12-11(14(18)19)5-4-6-15-12/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).