1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene

C43H91N5S — CID 158359083

IUPAC1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene
SMILESC1=CNC=CC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccsc1.c1cnccn1
InChIInChI=1S/C5H11N.C5H7N.C5H5N.C4H4N2.C4H4S.10C2H6/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;10*1-2/h6H,1-5H2;2-6H,1H2;1-5H;1-4H;1-4H;10*1-2H3
InChIKeyGTGBUBWMFDVFJN-UHFFFAOYSA-N
MW710.30 g/mol
LogP15.34
Rot. Bonds

About 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene

1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene (PubChem CID 158359083) has the molecular formula C43H91N5S and a molecular weight of 710.30 g/mol. Its IUPAC name is 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene.

Molecular Properties

Compound Name1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene
PubChem CID158359083
Molecular FormulaC43H91N5S
Molecular Weight710.30 g/mol
Exact Mass709.70
IUPAC Name1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene
SMILESC1=CNC=CC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccsc1.c1cnccn1
InChIInChI=1S/C5H11N.C5H7N.C5H5N.C4H4N2.C4H4S.10C2H6/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;10*1-2/h6H,1-5H2;2-6H,1H2;1-5H;1-4H;1-4H;10*1-2H3
InChIKeyGTGBUBWMFDVFJN-UHFFFAOYSA-N
XLogP15.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.30
LogP ≤ 515.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene?
The IUPAC name of 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene (CID 158359083) is 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene.
What is the SMILES notation for 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene?
The canonical SMILES for 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene is C1=CNC=CC1.C1CCNCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1ccsc1.c1cnccn1.
What is the InChIKey of 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene?
The InChIKey is GTGBUBWMFDVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H7N.C5H5N.C4H4N2.C4H4S.10C2H6/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;10*1-2/h6H,1-5H2;2-6H,1H2;1-5H;1-4H;1-4H;10*1-2H3.
What are the key properties of 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene?
1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene has a molecular weight of 710.30 g/mol, XLogP of 15.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyridine;ethane;piperidine;pyrazine;pyridine;thiophene is sourced from PubChem (CID 158359083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).