methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate

C22H21NO3 — CID 121251044

IUPACmethyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)nc1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C22H21NO3/c1-14-12-15(2)20(16(3)13-14)26-21-18(22(24)25-4)10-11-19(23-21)17-8-6-5-7-9-17/h5-13H,1-4H3
InChIKeyFEFVOSWRKJURLA-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.25
Rot. Bonds4

About methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate

methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate (PubChem CID 121251044) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
PubChem CID121251044
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Namemethyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)nc1Oc1c(C)cc(C)cc1C
InChIInChI=1S/C22H21NO3/c1-14-12-15(2)20(16(3)13-14)26-21-18(22(24)25-4)10-11-19(23-21)17-8-6-5-7-9-17/h5-13H,1-4H3
InChIKeyFEFVOSWRKJURLA-UHFFFAOYSA-N
XLogP5.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-aminoethylamino)-2-pyridinyl]sulfonyl]-6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251867
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
6-[4-(methoxymethyl)phenyl]-N-pyridin-2-ylsulfonyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989340
6-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 167559771
methyl 3-methyl-2-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]benzoate
CID 86997310
N-pyridin-2-ylsulfonyl-6-[4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 131989375
6-(4-ethylphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 167572090
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-chlorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251275
6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 161121379
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
CID 160692651
6-(3,4-dimethoxyphenyl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 138545759
methyl 5-(1-hydroxybutan-2-ylamino)-6-methyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
CID 151783478

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate (CID 121251044) is methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccccc2)nc1Oc1c(C)cc(C)cc1C.
What is the InChIKey of methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The InChIKey is FEFVOSWRKJURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-14-12-15(2)20(16(3)13-14)26-21-18(22(24)25-4)10-11-19(23-21)17-8-6-5-7-9-17/h5-13H,1-4H3.
What are the key properties of methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 121251044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).