methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate

C16H19N3O4 — CID 13246888

IUPACmethyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O
InChIInChI=1S/C16H19N3O4/c1-9(2)16(4)15(22)19(10(3)20)13(18-16)12-11(14(21)23-5)7-6-8-17-12/h6-9H,1-5H3
InChIKeyWMGMTCWLTWDWFW-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.42
Rot. Bonds3

About methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate

methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate (PubChem CID 13246888) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate
PubChem CID13246888
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namemethyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O
InChIInChI=1S/C16H19N3O4/c1-9(2)16(4)15(22)19(10(3)20)13(18-16)12-11(14(21)23-5)7-6-8-17-12/h6-9H,1-5H3
InChIKeyWMGMTCWLTWDWFW-UHFFFAOYSA-N
XLogP1.42
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate (CID 13246888) is methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O.
What is the InChIKey of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is WMGMTCWLTWDWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9(2)16(4)15(22)19(10(3)20)13(18-16)12-11(14(21)23-5)7-6-8-17-12/h6-9H,1-5H3.
What are the key properties of methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate?
methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 13246888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).