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

C15H19N3O3 — CID 51674642

IUPACethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1C1=N[C@](C)(C(C)C)C(=O)N1
InChIInChI=1S/C15H19N3O3/c1-5-21-13(19)10-7-6-8-16-11(10)12-17-14(20)15(4,18-12)9(2)3/h6-9H,5H2,1-4H3,(H,17,18,20)/t15-/m1/s1
InChIKeyVWDGXQDVFNTPCC-OAHLLOKOSA-N
MW289.34 g/mol
LogP1.55
Rot. Bonds4

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

ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate (PubChem CID 51674642) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
PubChem CID51674642
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1C1=N[C@](C)(C(C)C)C(=O)N1
InChIInChI=1S/C15H19N3O3/c1-5-21-13(19)10-7-6-8-16-11(10)12-17-14(20)15(4,18-12)9(2)3/h6-9H,5H2,1-4H3,(H,17,18,20)/t15-/m1/s1
InChIKeyVWDGXQDVFNTPCC-OAHLLOKOSA-N
XLogP1.55
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250671
N-(2-chloroethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250670
pyridin-2-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 21242477
pyridin-3-ylmethyl 5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 21242478
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;bis(2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid)
CID 173366406
methyl 2-(4,4-dimethyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate
CID 13246897
2-[3-(3-methoxydioxiran-3-yl)-2-pyridinyl]-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 88772133
azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 139596823
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-5-[(Z)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 70411627
ethyl 2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine-3-carboxylate
CID 67712315
formaldehyde;5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
CID 159828826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate (CID 51674642) is ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1C1=N[C@](C)(C(C)C)C(=O)N1.
What is the InChIKey of ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate?
The InChIKey is VWDGXQDVFNTPCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-21-13(19)10-7-6-8-16-11(10)12-17-14(20)15(4,18-12)9(2)3/h6-9H,5H2,1-4H3,(H,17,18,20)/t15-/m1/s1.
What are the key properties of ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate?
ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 51674642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).