2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine

C27H23N5O — CID 14950505

IUPAC2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccccc2)c(C)n1
InChIInChI=1S/C27H23N5O/c1-18-16-25(26(19(2)28-18)22-8-4-3-5-9-22)33-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27-29-31-32-30-27/h3-16H,17H2,1-2H3,(H,29,30,31,32)
InChIKeyNZPOOSCEGSJCJK-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.79
Rot. Bonds6

About 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine

2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine (PubChem CID 14950505) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
PubChem CID14950505
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccccc2)c(C)n1
InChIInChI=1S/C27H23N5O/c1-18-16-25(26(19(2)28-18)22-8-4-3-5-9-22)33-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27-29-31-32-30-27/h3-16H,17H2,1-2H3,(H,29,30,31,32)
InChIKeyNZPOOSCEGSJCJK-UHFFFAOYSA-N
XLogP5.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The IUPAC name of 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine (CID 14950505) is 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine.
What is the SMILES notation for 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The canonical SMILES for 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine is Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccccc2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
The InChIKey is NZPOOSCEGSJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-18-16-25(26(19(2)28-18)22-8-4-3-5-9-22)33-17-20-12-14-21(15-13-20)23-10-6-7-11-24(23)27-29-31-32-30-27/h3-16H,17H2,1-2H3,(H,29,30,31,32).
What are the key properties of 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine?
2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine has a molecular weight of 433.52 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine is sourced from PubChem (CID 14950505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).