2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide

C17H20ClN3O3S — CID 5103891

IUPAC2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccs1)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C17H20ClN3O3S/c18-13-8-14(10-19-9-13)24-12-15-11-21(5-6-23-15)17(22)20-4-3-16-2-1-7-25-16/h1-2,7-10,15H,3-6,11-12H2,(H,20,22)
InChIKeyFQPPLGXUGVOITF-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.83
Rot. Bonds6

About 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide

2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide (PubChem CID 5103891) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
PubChem CID5103891
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccs1)N1CCOC(COc2cncc(Cl)c2)C1
InChIInChI=1S/C17H20ClN3O3S/c18-13-8-14(10-19-9-13)24-12-15-11-21(5-6-23-15)17(22)20-4-3-16-2-1-7-25-16/h1-2,7-10,15H,3-6,11-12H2,(H,20,22)
InChIKeyFQPPLGXUGVOITF-UHFFFAOYSA-N
XLogP2.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5009855
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 3737698
2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 3783712
1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 3483666
3-(1H-benzimidazol-2-yl)-1-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]propan-1-one
CID 3745708
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 3817338
methyl 3-[[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate
CID 3872021
[2-[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 3871142
2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
CID 3667814
methyl 5-[[4-(2-iodobenzoyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate
CID 3750050
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
ethyl 5-chloro-6-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 54584960

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide (CID 5103891) is 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide is O=C(NCCc1cccs1)N1CCOC(COc2cncc(Cl)c2)C1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The InChIKey is FQPPLGXUGVOITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c18-13-8-14(10-19-9-13)24-12-15-11-21(5-6-23-15)17(22)20-4-3-16-2-1-7-25-16/h1-2,7-10,15H,3-6,11-12H2,(H,20,22).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 5103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).