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

C21H19N5O — CID 151578231

IUPAC3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C
InChIInChI=1S/C21H19N5O/c1-13-12-19(20(27-3)14(2)22-13)16-10-8-15(9-11-16)17-6-4-5-7-18(17)21-23-25-26-24-21/h4-12H,1-3H3,(H,23,24,25,26)
InChIKeyQFXOINOIUYEBTF-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.22
Rot. Bonds4

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

3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine (PubChem CID 151578231) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
PubChem CID151578231
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C
InChIInChI=1S/C21H19N5O/c1-13-12-19(20(27-3)14(2)22-13)16-10-8-15(9-11-16)17-6-4-5-7-18(17)21-23-25-26-24-21/h4-12H,1-3H3,(H,23,24,25,26)
InChIKeyQFXOINOIUYEBTF-UHFFFAOYSA-N
XLogP4.22
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
CID 174274371
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
2-ethyl-7-methoxy-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 154480338
4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 174388686
ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 174296805
2-cyclopropyl-4,6-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine
CID 19892174
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
2-ethoxy-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15288822
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine?
The IUPAC name of 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine (CID 151578231) is 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine is COc1c(-c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C.
What is the InChIKey of 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine?
The InChIKey is QFXOINOIUYEBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-12-19(20(27-3)14(2)22-13)16-10-8-15(9-11-16)17-6-4-5-7-18(17)21-23-25-26-24-21/h4-12H,1-3H3,(H,23,24,25,26).
What are the key properties of 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine?
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine has a molecular weight of 357.42 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 151578231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).