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

C17H17N3 — CID 11587012

IUPAC4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline
SMILESNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C17H17N3/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10,18H2/b14-11+
InChIKeyWKIKOLZQZBUNSZ-SDNWHVSQSA-N
MW263.34 g/mol
LogP3.33
Rot. Bonds2

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

4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline (PubChem CID 11587012) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline.

Molecular Properties

Compound Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline
PubChem CID11587012
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline
SMILESNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C17H17N3/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10,18H2/b14-11+
InChIKeyWKIKOLZQZBUNSZ-SDNWHVSQSA-N
XLogP3.33
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
The IUPAC name of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline (CID 11587012) is 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline.
What is the SMILES notation for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
The canonical SMILES for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline is Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
The InChIKey is WKIKOLZQZBUNSZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H17N3/c18-16-7-5-13(6-8-16)11-14-3-2-10-20-17(14)15-4-1-9-19-12-15/h1,4-9,11-12H,2-3,10,18H2/b14-11+.
What are the key properties of 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline is sourced from PubChem (CID 11587012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).