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

C19H17N3 — CID 10067052

IUPAC3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole
SMILESC(=C1\CCCN=C1c1cccnc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3/c1-2-8-18-17(7-1)16(13-22-18)11-14-5-4-10-21-19(14)15-6-3-9-20-12-15/h1-3,6-9,11-13,22H,4-5,10H2/b14-11+
InChIKeyOHJAPPGRBLPQFE-SDNWHVSQSA-N
MW287.37 g/mol
LogP4.23
Rot. Bonds2

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

3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole (PubChem CID 10067052) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole
PubChem CID10067052
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole
SMILESC(=C1\CCCN=C1c1cccnc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3/c1-2-8-18-17(7-1)16(13-22-18)11-14-5-4-10-21-19(14)15-6-3-9-20-12-15/h1-3,6-9,11-13,22H,4-5,10H2/b14-11+
InChIKeyOHJAPPGRBLPQFE-SDNWHVSQSA-N
XLogP4.23
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole?
The IUPAC name of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole (CID 10067052) is 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole.
What is the SMILES notation for 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole?
The canonical SMILES for 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole is C(=C1\CCCN=C1c1cccnc1)\c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole?
The InChIKey is OHJAPPGRBLPQFE-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H17N3/c1-2-8-18-17(7-1)16(13-22-18)11-14-5-4-10-21-19(14)15-6-3-9-20-12-15/h1-3,6-9,11-13,22H,4-5,10H2/b14-11+.
What are the key properties of 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole?
3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole has a molecular weight of 287.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-1H-indole is sourced from PubChem (CID 10067052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).