2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile

C33H26N4O — CID 174405758

IUPAC2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile
SMILESCc1ccc(-c2ccccc2O)c(C=Cc2ccccn2)n1.N#Cc1cccc(C=Cc2ccccc2)n1
InChIInChI=1S/C19H16N2O.C14H10N2/c1-14-9-11-16(17-7-2-3-8-19(17)22)18(21-14)12-10-15-6-4-5-13-20-15;15-11-14-8-4-7-13(16-14)10-9-12-5-2-1-3-6-12/h2-13,22H,1H3;1-10H
InChIKeyJMPQWZXTULBAIB-UHFFFAOYSA-N
MW494.60 g/mol
LogP7.45
Rot. Bonds5

About 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile

2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile (PubChem CID 174405758) has the molecular formula C33H26N4O and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile
PubChem CID174405758
Molecular FormulaC33H26N4O
Molecular Weight494.60 g/mol
Exact Mass494.21
IUPAC Name2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile
SMILESCc1ccc(-c2ccccc2O)c(C=Cc2ccccn2)n1.N#Cc1cccc(C=Cc2ccccc2)n1
InChIInChI=1S/C19H16N2O.C14H10N2/c1-14-9-11-16(17-7-2-3-8-19(17)22)18(21-14)12-10-15-6-4-5-13-20-15;15-11-14-8-4-7-13(16-14)10-9-12-5-2-1-3-6-12/h2-13,22H,1H3;1-10H
InChIKeyJMPQWZXTULBAIB-UHFFFAOYSA-N
XLogP7.45
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile?
The IUPAC name of 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile (CID 174405758) is 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile?
The canonical SMILES for 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile is Cc1ccc(-c2ccccc2O)c(C=Cc2ccccn2)n1.N#Cc1cccc(C=Cc2ccccc2)n1.
What is the InChIKey of 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile?
The InChIKey is JMPQWZXTULBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O.C14H10N2/c1-14-9-11-16(17-7-2-3-8-19(17)22)18(21-14)12-10-15-6-4-5-13-20-15;15-11-14-8-4-7-13(16-14)10-9-12-5-2-1-3-6-12/h2-13,22H,1H3;1-10H.
What are the key properties of 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile?
2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile has a molecular weight of 494.60 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(2-pyridin-2-ylethenyl)-3-pyridinyl]phenol;6-(2-phenylethenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 174405758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).