5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride

C17H20ClFN4O3 — CID 90133875

IUPAC5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
SMILESCCOc1cnc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cn1.Cl
InChIInChI=1S/C17H19FN4O3.ClH/c1-2-24-16-10-20-14(8-21-16)17(23)22-11-3-4-12(13(18)7-11)15-9-19-5-6-25-15;/h3-4,7-8,10,15,19H,2,5-6,9H2,1H3,(H,22,23);1H/t15-;/m1./s1
InChIKeyMWNMGJXOHUJMIC-XFULWGLBSA-N
MW382.82 g/mol
LogP2.35
Rot. Bonds5

About 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride

5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 90133875) has the molecular formula C17H20ClFN4O3 and a molecular weight of 382.82 g/mol. Its IUPAC name is 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
PubChem CID90133875
Molecular FormulaC17H20ClFN4O3
Molecular Weight382.82 g/mol
Exact Mass382.12
IUPAC Name5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
SMILESCCOc1cnc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cn1.Cl
InChIInChI=1S/C17H19FN4O3.ClH/c1-2-24-16-10-20-14(8-21-16)17(23)22-11-3-4-12(13(18)7-11)15-9-19-5-6-25-15;/h3-4,7-8,10,15,19H,2,5-6,9H2,1H3,(H,22,23);1H/t15-;/m1./s1
InChIKeyMWNMGJXOHUJMIC-XFULWGLBSA-N
XLogP2.35
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 122529822
N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
CID 71086852
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide
CID 71086784
2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride
CID 71087142
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide
CID 71087131
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047252
1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68586164

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride (CID 90133875) is 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride is CCOc1cnc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cn1.Cl.
What is the InChIKey of 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is MWNMGJXOHUJMIC-XFULWGLBSA-N. The full InChI is InChI=1S/C17H19FN4O3.ClH/c1-2-24-16-10-20-14(8-21-16)17(23)22-11-3-4-12(13(18)7-11)15-9-19-5-6-25-15;/h3-4,7-8,10,15,19H,2,5-6,9H2,1H3,(H,22,23);1H/t15-;/m1./s1.
What are the key properties of 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride?
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 382.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 90133875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).