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

C25H25N5O3 — CID 174296805

IUPACethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(CC)c(OC)c1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C25H25N5O3/c1-5-20-23(32-4)22(21(15(3)26-20)25(31)33-6-2)17-12-13-18(16-10-8-7-9-11-16)19(14-17)24-27-29-30-28-24/h7-14H,5-6H2,1-4H3,(H,27,28,29,30)
InChIKeyXBAOUHAFWWKFSC-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.65
Rot. Bonds7

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

ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate (PubChem CID 174296805) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
PubChem CID174296805
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Nameethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(CC)c(OC)c1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C25H25N5O3/c1-5-20-23(32-4)22(21(15(3)26-20)25(31)33-6-2)17-12-13-18(16-10-8-7-9-11-16)19(14-17)24-27-29-30-28-24/h7-14H,5-6H2,1-4H3,(H,27,28,29,30)
InChIKeyXBAOUHAFWWKFSC-UHFFFAOYSA-N
XLogP4.65
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
CID 174274371
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
ethyl 5-methoxy-2,6-dimethyl-4-[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]pyridine-3-carboxylate
CID 150873033
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 174388686
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
[6-ethyl-2-methyl-4-[N-methyl-4-[2-(2H-tetrazol-5-yl)phenyl]anilino]-3-pyridinyl]-phenylmethanone
CID 54140911
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
dilithium bis(2-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylate)
CID 139620443
ethyl 5-benzyl-1-methyl-1-propyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyrazol-1-ium-4-carboxylate
CID 67663047
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate (CID 174296805) is ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc(CC)c(OC)c1-c1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate?
The InChIKey is XBAOUHAFWWKFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-5-20-23(32-4)22(21(15(3)26-20)25(31)33-6-2)17-12-13-18(16-10-8-7-9-11-16)19(14-17)24-27-29-30-28-24/h7-14H,5-6H2,1-4H3,(H,27,28,29,30).
What are the key properties of ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate?
ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate has a molecular weight of 443.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 174296805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).