1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone

C17H18N4O3 — CID 109276512

IUPAC1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C17H18N4O3/c1-12(22)13-3-2-4-14(9-13)20-16-11-18-15(10-19-16)17(23)21-5-7-24-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,19,20)
InChIKeyJWBSGZANAFNMHI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone

1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone (PubChem CID 109276512) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
PubChem CID109276512
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cnc(C(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C17H18N4O3/c1-12(22)13-3-2-4-14(9-13)20-16-11-18-15(10-19-16)17(23)21-5-7-24-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,19,20)
InChIKeyJWBSGZANAFNMHI-UHFFFAOYSA-N
XLogP1.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
[5-[4-(4-methylpiperazin-1-yl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276527
[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276475
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279141
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273663

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone (CID 109276512) is 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cnc(C(=O)N3CCOCC3)cn2)c1.
What is the InChIKey of 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone?
The InChIKey is JWBSGZANAFNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(22)13-3-2-4-14(9-13)20-16-11-18-15(10-19-16)17(23)21-5-7-24-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,19,20).
What are the key properties of 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone?
1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone has a molecular weight of 326.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 109276512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).