2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile

C21H17N7O2 — CID 137306151

IUPAC2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile
SMILESCc1cccc(-n2nn[nH]c2=O)c1COc1ccc(-c2ncccc2C#N)c(C)n1
InChIInChI=1S/C21H17N7O2/c1-13-5-3-7-18(28-21(29)25-26-27-28)17(13)12-30-19-9-8-16(14(2)24-19)20-15(11-22)6-4-10-23-20/h3-10H,12H2,1-2H3,(H,25,27,29)
InChIKeySOPAEVIBOMSLRT-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile

2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 137306151) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID137306151
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile
SMILESCc1cccc(-n2nn[nH]c2=O)c1COc1ccc(-c2ncccc2C#N)c(C)n1
InChIInChI=1S/C21H17N7O2/c1-13-5-3-7-18(28-21(29)25-26-27-28)17(13)12-30-19-9-8-16(14(2)24-19)20-15(11-22)6-4-10-23-20/h3-10H,12H2,1-2H3,(H,25,27,29)
InChIKeySOPAEVIBOMSLRT-UHFFFAOYSA-N
XLogP2.48
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one
CID 137255181
4-[3-methyl-2-[(2-methyl-4-pyridin-2-ylphenoxy)methyl]phenyl]-1H-tetrazol-5-one
CID 137161518
4-[2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]-3-methylphenyl]-1H-tetrazol-5-one
CID 146631770
1-[2-[[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 121387065
4-[3-methyl-2-[[3-(1-methylpyrazol-3-yl)phenoxy]methyl]phenyl]-1H-tetrazol-5-one
CID 137142838
1-[2-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[5-(3-isocyanophenyl)-6-methyl-2-pyridinyl]oxymethyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-methyl-4-[3-methyl-2-[[6-methyl-5-(2-methylphenyl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one;1-methyl-4-[3-methyl-2-[[6-methyl-5-(3-methylphenyl)-2-pyridinyl]oxymethyl]phenyl]tetrazol-5-one;2-[2-methyl-6-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-pyridinyl]benzonitrile
CID 162065732
ethane;4-(2-methylphenyl)-1H-tetrazol-5-one
CID 145130008
4-[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-1H-tetrazol-5-one
CID 137003751
4-[2-[(4-hydroxy-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-1H-tetrazol-5-one
CID 137255187
5-methyl-2-[3-methyl-4-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]phenyl]benzonitrile
CID 121382570
4-(2-bromo-3-methylphenyl)-1H-tetrazol-5-one
CID 137053095
1-[3-ethyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-4-methyltetrazol-5-one
CID 121374925

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile (CID 137306151) is 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile is Cc1cccc(-n2nn[nH]c2=O)c1COc1ccc(-c2ncccc2C#N)c(C)n1.
What is the InChIKey of 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is SOPAEVIBOMSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-13-5-3-7-18(28-21(29)25-26-27-28)17(13)12-30-19-9-8-16(14(2)24-19)20-15(11-22)6-4-10-23-20/h3-10H,12H2,1-2H3,(H,25,27,29).
What are the key properties of 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile?
2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 399.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[[2-methyl-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 137306151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).