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

C17H18N2O5 — CID 124683969

IUPAC5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESCCc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)O)nc2)o1
InChIInChI=1S/C17H18N2O5/c1-2-12-4-6-15(24-12)14-10-23-8-7-19(14)16(20)11-3-5-13(17(21)22)18-9-11/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyNTTUUZCLWZSLSQ-CQSZACIVSA-N
MW330.34 g/mol
LogP2.15
Rot. Bonds4

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

5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid (PubChem CID 124683969) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
PubChem CID124683969
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESCCc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)O)nc2)o1
InChIInChI=1S/C17H18N2O5/c1-2-12-4-6-15(24-12)14-10-23-8-7-19(14)16(20)11-3-5-13(17(21)22)18-9-11/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyNTTUUZCLWZSLSQ-CQSZACIVSA-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
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
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
[(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
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002451
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002452
N-[2-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 126769209
6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 83096346

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid (CID 124683969) is 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid is CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)O)nc2)o1.
What is the InChIKey of 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is NTTUUZCLWZSLSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-12-4-6-15(24-12)14-10-23-8-7-19(14)16(20)11-3-5-13(17(21)22)18-9-11/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-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 5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124683969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).