methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate

C21H26N2O2 — CID 66993576

IUPACmethyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate
SMILESCCc1cccc(CC)c1-c1cc(N2CCC2)c(C(=O)OC)c(C)n1
InChIInChI=1S/C21H26N2O2/c1-5-15-9-7-10-16(6-2)20(15)17-13-18(23-11-8-12-23)19(14(3)22-17)21(24)25-4/h7,9-10,13H,5-6,8,11-12H2,1-4H3
InChIKeyRTOLTJHYAIMNLL-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.18
Rot. Bonds5

About methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate

methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate (PubChem CID 66993576) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate
PubChem CID66993576
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namemethyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate
SMILESCCc1cccc(CC)c1-c1cc(N2CCC2)c(C(=O)OC)c(C)n1
InChIInChI=1S/C21H26N2O2/c1-5-15-9-7-10-16(6-2)20(15)17-13-18(23-11-8-12-23)19(14(3)22-17)21(24)25-4/h7,9-10,13H,5-6,8,11-12H2,1-4H3
InChIKeyRTOLTJHYAIMNLL-UHFFFAOYSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate (CID 66993576) is methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate is CCc1cccc(CC)c1-c1cc(N2CCC2)c(C(=O)OC)c(C)n1.
What is the InChIKey of methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is RTOLTJHYAIMNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-15-9-7-10-16(6-2)20(15)17-13-18(23-11-8-12-23)19(14(3)22-17)21(24)25-4/h7,9-10,13H,5-6,8,11-12H2,1-4H3.
What are the key properties of methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate?
methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(azetidin-1-yl)-6-(2,6-diethylphenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 66993576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).