3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride

C23H22Cl2N2 — CID 161148903

IUPAC3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccc(-c2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C23H20N2.2ClH/c1-2-6-19(7-3-1)20-12-10-18(11-13-20)16-21-8-5-15-25-23(21)22-9-4-14-24-17-22;;/h1-4,6-7,9-14,16-17H,5,8,15H2;2*1H/b21-16+;;
InChIKeyNUPCRQUYTKFSQO-UZYBFUPOSA-N
MW397.35 g/mol
LogP6.26
Rot. Bonds3

About 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride

3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride (PubChem CID 161148903) has the molecular formula C23H22Cl2N2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
PubChem CID161148903
Molecular FormulaC23H22Cl2N2
Molecular Weight397.35 g/mol
Exact Mass396.12
IUPAC Name3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccc(-c2ccccc2)cc1.Cl.Cl
InChIInChI=1S/C23H20N2.2ClH/c1-2-6-19(7-3-1)20-12-10-18(11-13-20)16-21-8-5-15-25-23(21)22-9-4-14-24-17-22;;/h1-4,6-7,9-14,16-17H,5,8,15H2;2*1H/b21-16+;;
InChIKeyNUPCRQUYTKFSQO-UZYBFUPOSA-N
XLogP6.26
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5E)-5-[(4-methylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 11550686
1-phenyl-3-[4-[(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]urea
CID 67337458
3-[5-[(4-fluoro-3-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 67338026
3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 46703198
3-[(5E)-5-[(5-methylthiophen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 10315245
3-[5-[(5-bromothiophen-2-yl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride
CID 67024807
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
4-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]morpholine-2-thione
CID 10406417
1-[3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]piperazine
CID 58911166
3-[(5E)-5-[[3-(2-methoxyphenyl)phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 24877523
6-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]-3H-1,3-benzoxazol-2-one
CID 58911203

Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride?
The IUPAC name of 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride (CID 161148903) is 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride.
What is the SMILES notation for 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride?
The canonical SMILES for 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride is C(=C1\CCCN=C1c1cccnc1)\c1ccc(-c2ccccc2)cc1.Cl.Cl.
What is the InChIKey of 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride?
The InChIKey is NUPCRQUYTKFSQO-UZYBFUPOSA-N. The full InChI is InChI=1S/C23H20N2.2ClH/c1-2-6-19(7-3-1)20-12-10-18(11-13-20)16-21-8-5-15-25-23(21)22-9-4-14-24-17-22;;/h1-4,6-7,9-14,16-17H,5,8,15H2;2*1H/b21-16+;;.
What are the key properties of 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride?
3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(4-phenylphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine;dihydrochloride is sourced from PubChem (CID 161148903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).