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

C19H20N2O — CID 135869163

IUPAC2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
SMILESCc1cc(/C=C2\CCCN=C2c2cccnc2)cc(C)c1O
InChIInChI=1S/C19H20N2O/c1-13-9-15(10-14(2)19(13)22)11-16-5-4-8-21-18(16)17-6-3-7-20-12-17/h3,6-7,9-12,22H,4-5,8H2,1-2H3/b16-11+
InChIKeyZDBMHSQFMSDYEX-LFIBNONCSA-N
MW292.38 g/mol
LogP4.07
Rot. Bonds2

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

2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol (PubChem CID 135869163) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
PubChem CID135869163
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol
SMILESCc1cc(/C=C2\CCCN=C2c2cccnc2)cc(C)c1O
InChIInChI=1S/C19H20N2O/c1-13-9-15(10-14(2)19(13)22)11-16-5-4-8-21-18(16)17-6-3-7-20-12-17/h3,6-7,9-12,22H,4-5,8H2,1-2H3/b16-11+
InChIKeyZDBMHSQFMSDYEX-LFIBNONCSA-N
XLogP4.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol (CID 135869163) is 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol is Cc1cc(/C=C2\CCCN=C2c2cccnc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
The InChIKey is ZDBMHSQFMSDYEX-LFIBNONCSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-9-15(10-14(2)19(13)22)11-16-5-4-8-21-18(16)17-6-3-7-20-12-17/h3,6-7,9-12,22H,4-5,8H2,1-2H3/b16-11+.
What are the key properties of 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol?
2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol has a molecular weight of 292.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol is sourced from PubChem (CID 135869163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).