5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile

C24H22N6O2 — CID 121331389

IUPAC5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile
SMILESCCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(C#N)nc2)cc1C
InChIInChI=1S/C24H22N6O2/c1-4-17-6-5-7-22(30-24(31)29(3)27-28-30)21(17)15-32-23-11-9-18(12-16(23)2)19-8-10-20(13-25)26-14-19/h5-12,14H,4,15H2,1-3H3
InChIKeyWCYZUFUTRUJJAT-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.35
Rot. Bonds6

About 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile

5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile (PubChem CID 121331389) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile
PubChem CID121331389
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile
SMILESCCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(C#N)nc2)cc1C
InChIInChI=1S/C24H22N6O2/c1-4-17-6-5-7-22(30-24(31)29(3)27-28-30)21(17)15-32-23-11-9-18(12-16(23)2)19-8-10-20(13-25)26-14-19/h5-12,14H,4,15H2,1-3H3
InChIKeyWCYZUFUTRUJJAT-UHFFFAOYSA-N
XLogP3.35
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile (CID 121331389) is 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile is CCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(C#N)nc2)cc1C.
What is the InChIKey of 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile?
The InChIKey is WCYZUFUTRUJJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-4-17-6-5-7-22(30-24(31)29(3)27-28-30)21(17)15-32-23-11-9-18(12-16(23)2)19-8-10-20(13-25)26-14-19/h5-12,14H,4,15H2,1-3H3.
What are the key properties of 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile?
5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile has a molecular weight of 426.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 121331389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).