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

C25H25N5O3 — CID 14950504

IUPACmethyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
SMILESCCCc1nc(C)cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OC
InChIInChI=1S/C25H25N5O3/c1-4-7-21-23(25(31)32-3)22(14-16(2)26-21)33-15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30)
InChIKeyQYIWQDZBBVGRJX-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.56
Rot. Bonds8

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

methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate (PubChem CID 14950504) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
PubChem CID14950504
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Namemethyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
SMILESCCCc1nc(C)cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OC
InChIInChI=1S/C25H25N5O3/c1-4-7-21-23(25(31)32-3)22(14-16(2)26-21)33-15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30)
InChIKeyQYIWQDZBBVGRJX-UHFFFAOYSA-N
XLogP4.56
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
ethyl 2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylate
CID 57246030
methyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylate;hydrochloride
CID 19771802
methyl 1-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate
CID 10622529
3-[[4-methyl-2-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyrimidin-5-yl]methyl]benzoic acid
CID 67802473
2,6-diethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 57197947
1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone
CID 171349044
6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinoline-4-carboxylic acid
CID 19814451
4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-imidazole-2-carboxylic acid
CID 68573291
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
1-(4-methylphenyl)-3-[2-phenylmethoxy-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea
CID 86764419
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 174350917

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate?
The IUPAC name of methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate (CID 14950504) is methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate is CCCc1nc(C)cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OC.
What is the InChIKey of methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate?
The InChIKey is QYIWQDZBBVGRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-4-7-21-23(25(31)32-3)22(14-16(2)26-21)33-15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30).
What are the key properties of methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate?
methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate has a molecular weight of 443.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 14950504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).