3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C26H26N2O — CID 67337491

IUPAC3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCC(C)Oc1ccccc1-c1cccc(C=C2CCCN=C2c2cccnc2)c1
InChIInChI=1S/C26H26N2O/c1-19(2)29-25-13-4-3-12-24(25)21-9-5-8-20(16-21)17-22-10-7-15-28-26(22)23-11-6-14-27-18-23/h3-6,8-9,11-14,16-19H,7,10,15H2,1-2H3
InChIKeyGOVWDOFMMDYESZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.20
Rot. Bonds5

About 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67337491) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67337491
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCC(C)Oc1ccccc1-c1cccc(C=C2CCCN=C2c2cccnc2)c1
InChIInChI=1S/C26H26N2O/c1-19(2)29-25-13-4-3-12-24(25)21-9-5-8-20(16-21)17-22-10-7-15-28-26(22)23-11-6-14-27-18-23/h3-6,8-9,11-14,16-19H,7,10,15H2,1-2H3
InChIKeyGOVWDOFMMDYESZ-UHFFFAOYSA-N
XLogP6.20
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine with MolForge

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Related Compounds

3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24877523
3-[5-[[3-(2,4-difluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67339439
3-[(5E)-5-[(2-methoxy-4-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24876940
3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67338026
3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 161148903
3-[(5E)-5-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 11550686
3-[5-[[2-(3-fluorophenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337262
1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine
CID 58911166
3-[(5E)-5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24877871
3-[5-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67337318
3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 46703198
3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;hydron;dichloride
CID 66618703

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67337491) is 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is CC(C)Oc1ccccc1-c1cccc(C=C2CCCN=C2c2cccnc2)c1.
What is the InChIKey of 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is GOVWDOFMMDYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-19(2)29-25-13-4-3-12-24(25)21-9-5-8-20(16-21)17-22-10-7-15-28-26(22)23-11-6-14-27-18-23/h3-6,8-9,11-14,16-19H,7,10,15H2,1-2H3.
What are the key properties of 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 382.51 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(2-propan-2-yloxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67337491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).