ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine

C23H38N4 — CID 167693533

IUPACethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
SMILESCC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cnccn1
InChIInChI=1S/2C6H7N.C5H6N2.3C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;3*1-2/h2*2-5H,1H3;2-4H,1H3;3*1-2H3
InChIKeyXHOLKIPGOHFMIX-UHFFFAOYSA-N
MW370.59 g/mol
LogP6.64
Rot. Bonds

About ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine

ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine (PubChem CID 167693533) has the molecular formula C23H38N4 and a molecular weight of 370.59 g/mol. Its IUPAC name is ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine.

Molecular Properties

Compound Nameethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
PubChem CID167693533
Molecular FormulaC23H38N4
Molecular Weight370.59 g/mol
Exact Mass370.31
IUPAC Nameethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
SMILESCC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cnccn1
InChIInChI=1S/2C6H7N.C5H6N2.3C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;3*1-2/h2*2-5H,1H3;2-4H,1H3;3*1-2H3
InChIKeyXHOLKIPGOHFMIX-UHFFFAOYSA-N
XLogP6.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 158414729
ethane;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;toluene
CID 157388582
2-methylpyridine;pyridine
CID 19753594
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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine?
The IUPAC name of ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine (CID 167693533) is ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine.
What is the SMILES notation for ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine?
The canonical SMILES for ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine is CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1cnccn1.
What is the InChIKey of ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine?
The InChIKey is XHOLKIPGOHFMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H6N2.3C2H6/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5;3*1-2/h2*2-5H,1H3;2-4H,1H3;3*1-2H3.
What are the key properties of ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine?
ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine has a molecular weight of 370.59 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine is sourced from PubChem (CID 167693533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).