2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid

C17H18N2O5 — CID 122055723

IUPAC2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
SMILESCCc1ccc(C2COCCN2C(=O)c2cc(C(=O)O)ccn2)o1
InChIInChI=1S/C17H18N2O5/c1-2-12-3-4-15(24-12)14-10-23-8-7-19(14)16(20)13-9-11(17(21)22)5-6-18-13/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)
InChIKeyTZHUDASLTXLKCC-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.15
Rot. Bonds4

About 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid

2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122055723) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
PubChem CID122055723
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
SMILESCCc1ccc(C2COCCN2C(=O)c2cc(C(=O)O)ccn2)o1
InChIInChI=1S/C17H18N2O5/c1-2-12-3-4-15(24-12)14-10-23-8-7-19(14)16(20)13-9-11(17(21)22)5-6-18-13/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)
InChIKeyTZHUDASLTXLKCC-UHFFFAOYSA-N
XLogP2.15
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 119185550
5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124683969
[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 97059417
[3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 71911578
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 102557628
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055971
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002452
(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002451
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 139002397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid (CID 122055723) is 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid is CCc1ccc(C2COCCN2C(=O)c2cc(C(=O)O)ccn2)o1.
What is the InChIKey of 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is TZHUDASLTXLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-12-3-4-15(24-12)14-10-23-8-7-19(14)16(20)13-9-11(17(21)22)5-6-18-13/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22).
What are the key properties of 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid?
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).