5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide

C18H22N4O2 — CID 100640005

IUPAC5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C)c([C@H]2CN(c3cnc(C(N)=O)cn3)[C@@H](C)CO2)c1
InChIInChI=1S/C18H22N4O2/c1-11-4-5-12(2)14(6-11)16-9-22(13(3)10-24-16)17-8-20-15(7-21-17)18(19)23/h4-8,13,16H,9-10H2,1-3H3,(H2,19,23)/t13-,16+/m0/s1
InChIKeyBWYGOQSBFUSLGK-XJKSGUPXSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds3

About 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide

5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide (PubChem CID 100640005) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
PubChem CID100640005
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C)c([C@H]2CN(c3cnc(C(N)=O)cn3)[C@@H](C)CO2)c1
InChIInChI=1S/C18H22N4O2/c1-11-4-5-12(2)14(6-11)16-9-22(13(3)10-24-16)17-8-20-15(7-21-17)18(19)23/h4-8,13,16H,9-10H2,1-3H3,(H2,19,23)/t13-,16+/m0/s1
InChIKeyBWYGOQSBFUSLGK-XJKSGUPXSA-N
XLogP2.16
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
CID 119806064
[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 125141624
[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 125141625
(2S,5S)-2-(2,5-dimethylphenyl)-5-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 124829122
[(2S,5R)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607190
3-[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 99106789
3-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120981988
1-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 124685919
(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
CID 99640572
N-[3-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propyl]methanesulfonamide
CID 98791750
1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119806076

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide (CID 100640005) is 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide is Cc1ccc(C)c([C@H]2CN(c3cnc(C(N)=O)cn3)[C@@H](C)CO2)c1.
What is the InChIKey of 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide?
The InChIKey is BWYGOQSBFUSLGK-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-4-5-12(2)14(6-11)16-9-22(13(3)10-24-16)17-8-20-15(7-21-17)18(19)23/h4-8,13,16H,9-10H2,1-3H3,(H2,19,23)/t13-,16+/m0/s1.
What are the key properties of 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide?
5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 100640005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).