morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone

C16H24N4O3 — CID 122568453

IUPACmorpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone
SMILESO=C(c1cncc(NCCC2CCCOC2)n1)N1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-16(20-5-8-22-9-6-20)14-10-17-11-15(19-14)18-4-3-13-2-1-7-23-12-13/h10-11,13H,1-9,12H2,(H,18,19)
InChIKeyXELQFTUHAAPZJE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.18
Rot. Bonds5

About morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone

morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone (PubChem CID 122568453) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone
PubChem CID122568453
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namemorpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone
SMILESO=C(c1cncc(NCCC2CCCOC2)n1)N1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-16(20-5-8-22-9-6-20)14-10-17-11-15(19-14)18-4-3-13-2-1-7-23-12-13/h10-11,13H,1-9,12H2,(H,18,19)
InChIKeyXELQFTUHAAPZJE-UHFFFAOYSA-N
XLogP1.18
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-dimethyl-6-N-[2-[(3R)-oxan-3-yl]ethyl]pyrazine-2,6-diamine
CID 125447467
2-N,2-N-dimethyl-6-N-[2-(oxan-3-yl)ethyl]pyrazine-2,6-diamine
CID 122571412
[6-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134696530
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
6-[2-(oxan-3-yl)ethylamino]pyridine-3-carboxamide
CID 122562773
(4R)-1-(2,2-dimethylpropyl)-4-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]amino]pyrrolidin-2-one
CID 95713753
1-[3-[[6-(morpholine-4-carbonyl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110257663
(4-morpholin-4-ylpiperidin-1-yl)-[6-[[(3R)-oxan-3-yl]methylamino]-3-pyridinyl]methanone
CID 95226251
1,4-oxazepan-4-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62966972
[6-[(4R)-4-aminoazepan-1-yl]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 95725216
[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 95551667

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone (CID 122568453) is morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone is O=C(c1cncc(NCCC2CCCOC2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone?
The InChIKey is XELQFTUHAAPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-16(20-5-8-22-9-6-20)14-10-17-11-15(19-14)18-4-3-13-2-1-7-23-12-13/h10-11,13H,1-9,12H2,(H,18,19).
What are the key properties of morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone?
morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[2-(oxan-3-yl)ethylamino]pyrazin-2-yl]methanone is sourced from PubChem (CID 122568453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).