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

C24H23N5O3 — CID 57246030

IUPACethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)cc(C)nc1C
InChIInChI=1S/C24H23N5O3/c1-4-31-24(30)22-16(3)25-15(2)12-21(22)32-14-17-10-11-19(18-8-6-5-7-9-18)20(13-17)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)
InChIKeyMAEURPNWRXZKGK-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.30
Rot. Bonds7

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

ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate (PubChem CID 57246030) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
PubChem CID57246030
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Nameethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)cc(C)nc1C
InChIInChI=1S/C24H23N5O3/c1-4-31-24(30)22-16(3)25-15(2)12-21(22)32-14-17-10-11-19(18-8-6-5-7-9-18)20(13-17)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29)
InChIKeyMAEURPNWRXZKGK-UHFFFAOYSA-N
XLogP4.30
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate with MolForge

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Related Compounds

2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504
ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 174296805
1,7-dimethyl-5-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3,4-dihydro-2H-1,8-naphthyridine
CID 57152557
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate (CID 57246030) is ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate is CCOC(=O)c1c(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)cc(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate?
The InChIKey is MAEURPNWRXZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-4-31-24(30)22-16(3)25-15(2)12-21(22)32-14-17-10-11-19(18-8-6-5-7-9-18)20(13-17)23-26-28-29-27-23/h5-13H,4,14H2,1-3H3,(H,26,27,28,29).
What are the key properties of ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate?
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate has a molecular weight of 429.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 57246030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).