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

C24H23N5O3 — CID 57197947

IUPAC2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c(C(=O)O)c(CC)n1
InChIInChI=1S/C24H23N5O3/c1-3-17-13-21(22(24(30)31)20(4-2)25-17)32-14-15-10-11-18(16-8-6-5-7-9-16)19(12-15)23-26-28-29-27-23/h5-13H,3-4,14H2,1-2H3,(H,30,31)(H,26,27,28,29)
InChIKeyAPQUMEWIMDMUIY-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.33
Rot. Bonds8

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

2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid (PubChem CID 57197947) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
PubChem CID57197947
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESCCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c(C(=O)O)c(CC)n1
InChIInChI=1S/C24H23N5O3/c1-3-17-13-21(22(24(30)31)20(4-2)25-17)32-14-15-10-11-18(16-8-6-5-7-9-16)19(12-15)23-26-28-29-27-23/h5-13H,3-4,14H2,1-2H3,(H,30,31)(H,26,27,28,29)
InChIKeyAPQUMEWIMDMUIY-UHFFFAOYSA-N
XLogP4.33
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline-7-carbonitrile
CID 57011234
2-[2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinolin-6-yl]oxyethanamine
CID 57313427
6-benzyl-2-ethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 57006957
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
6-benzyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine
CID 19771734
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 19771703
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
CID 14950504

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid (CID 57197947) is 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid is CCc1cc(OCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c(C(=O)O)c(CC)n1.
What is the InChIKey of 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is APQUMEWIMDMUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-3-17-13-21(22(24(30)31)20(4-2)25-17)32-14-15-10-11-18(16-8-6-5-7-9-16)19(12-15)23-26-28-29-27-23/h5-13H,3-4,14H2,1-2H3,(H,30,31)(H,26,27,28,29).
What are the key properties of 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid?
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 429.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 57197947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).