2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid

C18H17FN2O4 — CID 122055790

IUPAC2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(=O)O)ccn2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H17FN2O4/c1-11-9-21(10-16(25-11)12-2-4-14(19)5-3-12)17(22)15-8-13(18(23)24)6-7-20-15/h2-8,11,16H,9-10H2,1H3,(H,23,24)
InChIKeyOUWYURFFAQHAQR-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.52
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid

2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid (PubChem CID 122055790) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
PubChem CID122055790
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(=O)O)ccn2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H17FN2O4/c1-11-9-21(10-16(25-11)12-2-4-14(19)5-3-12)17(22)15-8-13(18(23)24)6-7-20-15/h2-8,11,16H,9-10H2,1H3,(H,23,24)
InChIKeyOUWYURFFAQHAQR-UHFFFAOYSA-N
XLogP2.52
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 5389384
Pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 4780284
Vertilecanin B methy ester
CID 10709335
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53251568
4-[(4-Fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 3496149
Methyl 6-{[[1-(2-fluorobenzyl)-3-piperidinyl](methyl)amino]carbonyl}nicotinate
CID 23723812
2-(4-{2-[(3-Fluorophenyl)methoxy]ethyl}piperidine-1-carbonyl)pyridine
CID 53150648
Methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate
CID 71918031
methyl 4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate
CID 71923509
methyl 4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylate
CID 71975350
(5-Fluoro-2-pyridinyl)-[3-[2-(hydroxymethyl)-6-phenyl-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 156815465
Di-isopropyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 20189929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid (CID 122055790) is 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid is CC1CN(C(=O)c2cc(C(=O)O)ccn2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid?
The InChIKey is OUWYURFFAQHAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-11-9-21(10-16(25-11)12-2-4-14(19)5-3-12)17(22)15-8-13(18(23)24)6-7-20-15/h2-8,11,16H,9-10H2,1H3,(H,23,24).
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid?
2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid has a molecular weight of 344.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).