3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine

C26H26N2S — CID 135224747

IUPAC3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine
SMILESC=C1Cc2ccccc2C(=C2CCN(Cc3ncccc3C)CC2)c2ccsc21
InChIInChI=1S/C26H26N2S/c1-18-6-5-12-27-24(18)17-28-13-9-20(10-14-28)25-22-8-4-3-7-21(22)16-19(2)26-23(25)11-15-29-26/h3-8,11-12,15H,2,9-10,13-14,16-17H2,1H3
InChIKeyAZZFFBTWYDSPTF-UHFFFAOYSA-N
MW398.58 g/mol
LogP6.12
Rot. Bonds2

About 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine

3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine (PubChem CID 135224747) has the molecular formula C26H26N2S and a molecular weight of 398.58 g/mol. Its IUPAC name is 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine
PubChem CID135224747
Molecular FormulaC26H26N2S
Molecular Weight398.58 g/mol
Exact Mass398.18
IUPAC Name3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine
SMILESC=C1Cc2ccccc2C(=C2CCN(Cc3ncccc3C)CC2)c2ccsc21
InChIInChI=1S/C26H26N2S/c1-18-6-5-12-27-24(18)17-28-13-9-20(10-14-28)25-22-8-4-3-7-21(22)16-19(2)26-23(25)11-15-29-26/h3-8,11-12,15H,2,9-10,13-14,16-17H2,1H3
InChIKeyAZZFFBTWYDSPTF-UHFFFAOYSA-N
XLogP6.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

methane;2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 158457710
4-methyl-3-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine
CID 89348024
2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 71499435
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one;hydrobromide
CID 25144537
methyl 3-[4-[[4-(8-oxo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]phenyl]prop-2-enoate
CID 67051203
2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one nitrate
CID 11639319
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
9,9-dideuterio-2-[1-(trideuteriomethyl)piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 46842724
2-[1-[(2E)-4-methyl-2-[(methylideneamino)methylidene]pent-3-enyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 135224748
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
(Z)-but-2-enedioate;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
CID 45479747
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine (CID 135224747) is 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine is C=C1Cc2ccccc2C(=C2CCN(Cc3ncccc3C)CC2)c2ccsc21.
What is the InChIKey of 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine?
The InChIKey is AZZFFBTWYDSPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2S/c1-18-6-5-12-27-24(18)17-28-13-9-20(10-14-28)25-22-8-4-3-7-21(22)16-19(2)26-23(25)11-15-29-26/h3-8,11-12,15H,2,9-10,13-14,16-17H2,1H3.
What are the key properties of 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine?
3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine has a molecular weight of 398.58 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(8-methylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 135224747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).