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

C22H29NO4 — CID 24768323

IUPACmethyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
SMILESCCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC
InChIInChI=1S/C22H29NO4/c1-8-17(9-2)26-18-12-16(6)23-21(19(18)22(24)25-7)27-20-14(4)10-13(3)11-15(20)5/h10-12,17H,8-9H2,1-7H3
InChIKeyPUOVJBZYXIARHB-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.46
Rot. Bonds7

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

methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate (PubChem CID 24768323) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
PubChem CID24768323
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Namemethyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate
SMILESCCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC
InChIInChI=1S/C22H29NO4/c1-8-17(9-2)26-18-12-16(6)23-21(19(18)22(24)25-7)27-20-14(4)10-13(3)11-15(20)5/h10-12,17H,8-9H2,1-7H3
InChIKeyPUOVJBZYXIARHB-UHFFFAOYSA-N
XLogP5.46
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

CP-316311
CID 9818802
Pyridine, 3-ethyl-4-(1-ethylpropoxy)-6-methyl-2-(2,4,6-trimethylphenoxy)-
CID 9819381
4-[(1-Methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 9819482
2-(2,6-Dimethyl-4-propylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9820041
2-(4-Ethyl-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 9927970
4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylbenzamide
CID 10108936
2-Methyl-4-(pentan-3-yloxy)-6-(2,4,6-trimethylphenoxy)pyridine
CID 21912127
4-(Butan-2-yloxy)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 21912152
2-[4-(Methoxymethyl)-2,6-dimethylphenoxy]-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912269
6-Ethyl-3-methyl-4-(pentan-3-yloxy)-2-(2,4,6-trimethylphenoxy)pyridine
CID 21912341
4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylbenzaldehyde
CID 21912363
methyl 2-ethyl-7-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1478328

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate (CID 24768323) is methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate is CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC.
What is the InChIKey of methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
The InChIKey is PUOVJBZYXIARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-8-17(9-2)26-18-12-16(6)23-21(19(18)22(24)25-7)27-20-14(4)10-13(3)11-15(20)5/h10-12,17H,8-9H2,1-7H3.
What are the key properties of methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate?
methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 24768323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).