5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid

C15H14N2O4S — CID 120533579

IUPAC5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3ccsc3)C2)cn1
InChIInChI=1S/C15H14N2O4S/c18-14(10-1-2-12(15(19)20)16-7-10)17-4-5-21-13(8-17)11-3-6-22-9-11/h1-3,6-7,9,13H,4-5,8H2,(H,19,20)
InChIKeyBWPYIWRDBCZUJL-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.06
Rot. Bonds3

About 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid

5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid (PubChem CID 120533579) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
PubChem CID120533579
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3ccsc3)C2)cn1
InChIInChI=1S/C15H14N2O4S/c18-14(10-1-2-12(15(19)20)16-7-10)17-4-5-21-13(8-17)11-3-6-22-9-11/h1-3,6-7,9,13H,4-5,8H2,(H,19,20)
InChIKeyBWPYIWRDBCZUJL-UHFFFAOYSA-N
XLogP2.06
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2S)-2-thiophen-3-ylmorpholine-4-carbonyl]phenoxy]acetic acid
CID 129466702
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
6-(2-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122054334
(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 95326024
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
piperidin-2-yl-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 119339142
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid (CID 120533579) is 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCOC(c3ccsc3)C2)cn1.
What is the InChIKey of 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is BWPYIWRDBCZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-14(10-1-2-12(15(19)20)16-7-10)17-4-5-21-13(8-17)11-3-6-22-9-11/h1-3,6-7,9,13H,4-5,8H2,(H,19,20).
What are the key properties of 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid?
5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 120533579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).