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

C14H17N3O3 — CID 13246868

IUPACmethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C14H17N3O3/c1-8(2)14(3)13(19)16-11(17-14)10-9(12(18)20-4)6-5-7-15-10/h5-8H,1-4H3,(H,16,17,19)
InChIKeyHLSYPCGUANRZJM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.16
Rot. Bonds3

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

methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (PubChem CID 13246868) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
PubChem CID13246868
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C14H17N3O3/c1-8(2)14(3)13(19)16-11(17-14)10-9(12(18)20-4)6-5-7-15-10/h5-8H,1-4H3,(H,16,17,19)
InChIKeyHLSYPCGUANRZJM-UHFFFAOYSA-N
XLogP1.16
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate (CID 13246868) is methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1C1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
The InChIKey is HLSYPCGUANRZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)14(3)13(19)16-11(17-14)10-9(12(18)20-4)6-5-7-15-10/h5-8H,1-4H3,(H,16,17,19).
What are the key properties of methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate?
methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 13246868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).