2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate

C18H20N2O4 — CID 167823575

IUPAC2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
SMILESO=C(OCCN1CCOCC1)c1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c21-18(23-13-10-20-8-11-22-12-9-20)15-6-7-19-17(14-15)24-16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyNBBDZWSFIZNZMY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.36
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate

2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate (PubChem CID 167823575) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
PubChem CID167823575
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
SMILESO=C(OCCN1CCOCC1)c1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c21-18(23-13-10-20-8-11-22-12-9-20)15-6-7-19-17(14-15)24-16-4-2-1-3-5-16/h1-7,14H,8-13H2
InChIKeyNBBDZWSFIZNZMY-UHFFFAOYSA-N
XLogP2.36
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
2-phenoxypyridine-4-carboxylic acid
CID 21494431
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate
CID 171607901
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate (CID 167823575) is 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate is O=C(OCCN1CCOCC1)c1ccnc(Oc2ccccc2)c1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate?
The InChIKey is NBBDZWSFIZNZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-18(23-13-10-20-8-11-22-12-9-20)15-6-7-19-17(14-15)24-16-4-2-1-3-5-16/h1-7,14H,8-13H2.
What are the key properties of 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate?
2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate is sourced from PubChem (CID 167823575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).