3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine

C23H21N5O — CID 164612317

IUPAC3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
SMILESCOc1cccc(-c2cc(C)c(/C=C/c3cncc(-c4nn[nH]n4)c3)c(C)c2)c1
InChIInChI=1S/C23H21N5O/c1-15-9-19(18-5-4-6-21(12-18)29-3)10-16(2)22(15)8-7-17-11-20(14-24-13-17)23-25-27-28-26-23/h4-14H,1-3H3,(H,25,26,27,28)/b8-7+
InChIKeyQYHSZAJHKMEVQE-BQYQJAHWSA-N
MW383.46 g/mol
LogP4.72
Rot. Bonds5

About 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine

3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine (PubChem CID 164612317) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
PubChem CID164612317
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
SMILESCOc1cccc(-c2cc(C)c(/C=C/c3cncc(-c4nn[nH]n4)c3)c(C)c2)c1
InChIInChI=1S/C23H21N5O/c1-15-9-19(18-5-4-6-21(12-18)29-3)10-16(2)22(15)8-7-17-11-20(14-24-13-17)23-25-27-28-26-23/h4-14H,1-3H3,(H,25,26,27,28)/b8-7+
InChIKeyQYHSZAJHKMEVQE-BQYQJAHWSA-N
XLogP4.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 53239940
2,6-Dimethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-pyridine
CID 14950495
2,3,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950501
2-[3-(3-Methoxyphenyl)phenyl]-5-methyl-2-pyridin-4-ylimidazol-4-amine
CID 49858375
2,6-dimethyl-3-pyridin-4-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950506
3,5-dimethyl-4-{(E)-2-[5-(1H-tetrazol-5-yl)-3-pyridinyl]ethenyl}phenol
CID 16049771
Sdccggsk-0000146.P001
CID 44418476
3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
CID 53239970
2-[4-(naphthalen-2-yloxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyrazine
CID 126475240
3-[(E)-2-[4-(4-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164608725
3-[(E)-2-[4-(2-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164611886
3-[(E)-2-[4-(furan-3-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164624095

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine (CID 164612317) is 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine is COc1cccc(-c2cc(C)c(/C=C/c3cncc(-c4nn[nH]n4)c3)c(C)c2)c1.
What is the InChIKey of 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
The InChIKey is QYHSZAJHKMEVQE-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H21N5O/c1-15-9-19(18-5-4-6-21(12-18)29-3)10-16(2)22(15)8-7-17-11-20(14-24-13-17)23-25-27-28-26-23/h4-14H,1-3H3,(H,25,26,27,28)/b8-7+.
What are the key properties of 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine?
3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine has a molecular weight of 383.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-(3-methoxyphenyl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 164612317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).