1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole

C26H23N3 — CID 58911215

IUPAC1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole
SMILESC(=C1\CCCN=C1c1cccnc1)\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H23N3/c1-2-8-20(9-3-1)18-29-19-23(24-12-4-5-13-25(24)29)16-21-10-7-15-28-26(21)22-11-6-14-27-17-22/h1-6,8-9,11-14,16-17,19H,7,10,15,18H2/b21-16+
InChIKeyDIYYSACMEMLWQF-LTGZKZEYSA-N
MW377.49 g/mol
LogP5.75
Rot. Bonds4

About 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole

1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole (PubChem CID 58911215) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole.

Molecular Properties

Compound Name1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole
PubChem CID58911215
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole
SMILESC(=C1\CCCN=C1c1cccnc1)\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H23N3/c1-2-8-20(9-3-1)18-29-19-23(24-12-4-5-13-25(24)29)16-21-10-7-15-28-26(21)22-11-6-14-27-17-22/h1-6,8-9,11-14,16-17,19H,7,10,15,18H2/b21-16+
InChIKeyDIYYSACMEMLWQF-LTGZKZEYSA-N
XLogP5.75
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole?
The IUPAC name of 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole (CID 58911215) is 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole.
What is the SMILES notation for 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole?
The canonical SMILES for 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole is C(=C1\CCCN=C1c1cccnc1)\c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole?
The InChIKey is DIYYSACMEMLWQF-LTGZKZEYSA-N. The full InChI is InChI=1S/C26H23N3/c1-2-8-20(9-3-1)18-29-19-23(24-12-4-5-13-25(24)29)16-21-10-7-15-28-26(21)22-11-6-14-27-17-22/h1-6,8-9,11-14,16-17,19H,7,10,15,18H2/b21-16+.
What are the key properties of 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole?
1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole has a molecular weight of 377.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]indole is sourced from PubChem (CID 58911215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).