pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone

C16H18N4O2 — CID 102604258

IUPACpyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOCC(Cc2cccnc2)C1
InChIInChI=1S/C16H18N4O2/c21-16(15-10-18-4-5-19-15)20-6-7-22-12-14(11-20)8-13-2-1-3-17-9-13/h1-5,9-10,14H,6-8,11-12H2
InChIKeyNHWCMCGGVDGIST-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.20
Rot. Bonds3

About pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone

pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 102604258) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID102604258
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namepyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1cnccn1)N1CCOCC(Cc2cccnc2)C1
InChIInChI=1S/C16H18N4O2/c21-16(15-10-18-4-5-19-15)20-6-7-22-12-14(11-20)8-13-2-1-3-17-9-13/h1-5,9-10,14H,6-8,11-12H2
InChIKeyNHWCMCGGVDGIST-UHFFFAOYSA-N
XLogP1.20
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
pyridin-2-yl-[(6S)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961736
pyridin-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848103
(5-methylpyrazin-2-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969677
(1-ethylpyrazol-3-yl)-[(6R)-6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125022855
pyrazin-2-yl-[(7S)-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124958270
(6-benzyl-1,4-oxazepan-4-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
CID 102604379
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
(4-fluorophenyl)-[6-(pyrimidin-5-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 102604193
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
(2-methylpyrimidin-4-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950849

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 102604258) is pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone is O=C(c1cnccn1)N1CCOCC(Cc2cccnc2)C1.
What is the InChIKey of pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is NHWCMCGGVDGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(15-10-18-4-5-19-15)20-6-7-22-12-14(11-20)8-13-2-1-3-17-9-13/h1-5,9-10,14H,6-8,11-12H2.
What are the key properties of pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone?
pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 102604258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).