methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate

C18H17FN2O4 — CID 134044421

IUPACmethyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C18H17FN2O4/c1-24-18(23)13-4-7-15(20-10-13)17(22)21-8-9-25-16(11-21)12-2-5-14(19)6-3-12/h2-7,10,16H,8-9,11H2,1H3
InChIKeyKBYUXORKVQBYKV-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.22
Rot. Bonds3

About methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate

methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate (PubChem CID 134044421) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate
PubChem CID134044421
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Namemethyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C18H17FN2O4/c1-24-18(23)13-4-7-15(20-10-13)17(22)21-8-9-25-16(11-21)12-2-5-14(19)6-3-12/h2-7,10,16H,8-9,11H2,1H3
InChIKeyKBYUXORKVQBYKV-UHFFFAOYSA-N
XLogP2.22
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dipropyl isocinchomeronate
CID 8693
Diethyl 2,5-pyridinedicarboxylate
CID 254728
Erymelanthine
CID 44570488
[1-(6-Methoxycarbonyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487881
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
4-(3-Acetyl-4-hydroxy-5-oxo-2-pyridin-2-yl-2,5-dihydro-pyrrol-1-yl)-benzoic acid ethyl ester
CID 649010
Methyl 4-morpholin-4-yl-3-(pyridine-3-carbonylamino)benzoate
CID 6463987
Methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24791265
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2462861
Butyl 4-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 3698876
Vertilecanin B methy ester
CID 10709335
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53251568

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate (CID 134044421) is methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)nc1.
What is the InChIKey of methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate?
The InChIKey is KBYUXORKVQBYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-24-18(23)13-4-7-15(20-10-13)17(22)21-8-9-25-16(11-21)12-2-5-14(19)6-3-12/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate?
methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate has a molecular weight of 344.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 134044421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).