ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile

C20H33N5O2 — CID 143229298

IUPACethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC.CC1CCCN(c2nccnc2C#N)C1.CN(C=O)C1CCOCC1
InChIInChI=1S/C11H14N4.C7H13NO2.C2H6/c1-9-3-2-6-15(8-9)11-10(7-12)13-4-5-14-11;1-8(6-9)7-2-4-10-5-3-7;1-2/h4-5,9H,2-3,6,8H2,1H3;6-7H,2-5H2,1H3;1-2H3
InChIKeyHRHWQWNNIMWXHS-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.86
Rot. Bonds3

About ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile

ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 143229298) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Nameethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID143229298
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Nameethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCC.CC1CCCN(c2nccnc2C#N)C1.CN(C=O)C1CCOCC1
InChIInChI=1S/C11H14N4.C7H13NO2.C2H6/c1-9-3-2-6-15(8-9)11-10(7-12)13-4-5-14-11;1-8(6-9)7-2-4-10-5-3-7;1-2/h4-5,9H,2-3,6,8H2,1H3;6-7H,2-5H2,1H3;1-2H3
InChIKeyHRHWQWNNIMWXHS-UHFFFAOYSA-N
XLogP2.86
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile with MolForge

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Related Compounds

4-(3-cyanopyrazin-2-yl)-N-[(2,5-dimethyloxolan-3-yl)methyl]-2-methylpiperazine-1-carboxamide
CID 137997677
Ethyl 3-[[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11516542
Tert-butyl 4-(1-(3-cyanopyrazin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 24959229
Tert-butyl 1'-(6-cyanopyrazin-2-yl)-4,4'-bipiperidine-1-carboxylate
CID 59178894
3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
CID 66722416
3-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
CID 67503897
3-Chloro-5-[3-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 166452622
3-[Methyl(oxan-4-ylmethyl)amino]pyrazine-2-carbonitrile
CID 55227807
3-[4-(Methoxymethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 60300166
3-[Methyl(oxan-4-yl)amino]pyrazine-2-carbonitrile
CID 62684524
3-[Methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 63706510
5-[Methyl(oxan-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 64272758

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 143229298) is ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile is CC.CC1CCCN(c2nccnc2C#N)C1.CN(C=O)C1CCOCC1.
What is the InChIKey of ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is HRHWQWNNIMWXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.C7H13NO2.C2H6/c1-9-3-2-6-15(8-9)11-10(7-12)13-4-5-14-11;1-8(6-9)7-2-4-10-5-3-7;1-2/h4-5,9H,2-3,6,8H2,1H3;6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile?
ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 375.52 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 143229298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).