methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate

C17H23N3O3 — CID 102574270

IUPACmethyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate
SMILESCCc1cnc(C2=NC(C)(C(C)C)C(=O)N2C)c(C(=O)OC)c1
InChIInChI=1S/C17H23N3O3/c1-7-11-8-12(15(21)23-6)13(18-9-11)14-19-17(4,10(2)3)16(22)20(14)5/h8-10H,7H2,1-6H3
InChIKeyVYHYKZHAFWSAKD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate

methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate (PubChem CID 102574270) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate
PubChem CID102574270
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namemethyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate
SMILESCCc1cnc(C2=NC(C)(C(C)C)C(=O)N2C)c(C(=O)OC)c1
InChIInChI=1S/C17H23N3O3/c1-7-11-8-12(15(21)23-6)13(18-9-11)14-19-17(4,10(2)3)16(22)20(14)5/h8-10H,7H2,1-6H3
InChIKeyVYHYKZHAFWSAKD-UHFFFAOYSA-N
XLogP2.06
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate (CID 102574270) is methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate is CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2C)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate?
The InChIKey is VYHYKZHAFWSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-7-11-8-12(15(21)23-6)13(18-9-11)14-19-17(4,10(2)3)16(22)20(14)5/h8-10H,7H2,1-6H3.
What are the key properties of methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate?
methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,4-dimethyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-ethylpyridine-3-carboxylate is sourced from PubChem (CID 102574270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).