methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

C19H23N3O6 — CID 15676670

IUPACmethyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2OC(=O)CC(C)O2)cnc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C19H23N3O6/c1-9(2)19(4)18(25)21-15(22-19)14-12(16(24)26-5)7-11(8-20-14)17-27-10(3)6-13(23)28-17/h7-10,17H,6H2,1-5H3,(H,21,22,25)
InChIKeySVFMHZZJKGVWLI-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.51
Rot. Bonds4

About methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (PubChem CID 15676670) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
PubChem CID15676670
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Namemethyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2OC(=O)CC(C)O2)cnc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C19H23N3O6/c1-9(2)19(4)18(25)21-15(22-19)14-12(16(24)26-5)7-11(8-20-14)17-27-10(3)6-13(23)28-17/h7-10,17H,6H2,1-5H3,(H,21,22,25)
InChIKeySVFMHZZJKGVWLI-UHFFFAOYSA-N
XLogP1.51
TPSA116.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (CID 15676670) is methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is COC(=O)c1cc(C2OC(=O)CC(C)O2)cnc1C1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is SVFMHZZJKGVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-9(2)19(4)18(25)21-15(22-19)14-12(16(24)26-5)7-11(8-20-14)17-27-10(3)6-13(23)28-17/h7-10,17H,6H2,1-5H3,(H,21,22,25).
What are the key properties of methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methyl-6-oxo-1,3-dioxan-2-yl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 15676670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).