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

C20H17N5O — CID 164622359

IUPAC2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCc1cc(-c2ccco2)cc(C)c1/C=C/c1cc(-c2nn[nH]n2)ccn1
InChIInChI=1S/C20H17N5O/c1-13-10-16(19-4-3-9-26-19)11-14(2)18(13)6-5-17-12-15(7-8-21-17)20-22-24-25-23-20/h3-12H,1-2H3,(H,22,23,24,25)/b6-5+
InChIKeyFMMFRQLEQJRORE-AATRIKPKSA-N
MW343.39 g/mol
LogP4.31
Rot. Bonds4

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

2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine (PubChem CID 164622359) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine
PubChem CID164622359
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine
SMILESCc1cc(-c2ccco2)cc(C)c1/C=C/c1cc(-c2nn[nH]n2)ccn1
InChIInChI=1S/C20H17N5O/c1-13-10-16(19-4-3-9-26-19)11-14(2)18(13)6-5-17-12-15(7-8-21-17)20-22-24-25-23-20/h3-12H,1-2H3,(H,22,23,24,25)/b6-5+
InChIKeyFMMFRQLEQJRORE-AATRIKPKSA-N
XLogP4.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.31
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
5-[(2-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10050044
5-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)oxymethyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10095241
2,6-dimethyl-3-pyridin-4-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 14950506
2-[2-(3-Fluoro-5-furan-2-yl-phenyl)-2H-tetrazol-5-yl]-pyridine
CID 44395543
Sdccggsk-0000146.P001
CID 44418476
1-[5-[(2-ethyl-5,6,7,8-tetrahydroquinolin-4-yl)oxymethyl]-2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone
CID 19771826
2-[2-(3-Furan-2-yl-phenyl)-2H-tetrazol-5-yl]-pyridine
CID 44395567
3-[(E)-2-[4-(furan-3-yl)-2,6-dimethylphenyl]ethenyl]-5-(2H-tetrazol-5-yl)pyridine
CID 164624095
6-ethyl-2-methyl-3-pyridin-4-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
CID 9803711
2,6-Dimethyl-3-(4-ethoxycarbonylphenyl)-4-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methoxy]pyridine
CID 18946443
2-(4,4'-Di-tert-butyl-2'-(5-fluoropyridin-2-yl)-5'-(furan-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908886

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine (CID 164622359) is 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine is Cc1cc(-c2ccco2)cc(C)c1/C=C/c1cc(-c2nn[nH]n2)ccn1.
What is the InChIKey of 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine?
The InChIKey is FMMFRQLEQJRORE-AATRIKPKSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-10-16(19-4-3-9-26-19)11-14(2)18(13)6-5-17-12-15(7-8-21-17)20-22-24-25-23-20/h3-12H,1-2H3,(H,22,23,24,25)/b6-5+.
What are the key properties of 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine?
2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine has a molecular weight of 343.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]-4-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 164622359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).