methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate

C17H21N3O3 — CID 165421967

IUPACmethyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nccn2[C@@H]2CCC[C@@H](CO)C2)n1
InChIInChI=1S/C17H21N3O3/c1-23-17(22)15-7-3-6-14(19-15)16-18-8-9-20(16)13-5-2-4-12(10-13)11-21/h3,6-9,12-13,21H,2,4-5,10-11H2,1H3/t12-,13-/m1/s1
InChIKeyJVBQBHSQZAMRJV-CHWSQXEVSA-N
MW315.37 g/mol
LogP2.46
Rot. Bonds4

About methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate

methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate (PubChem CID 165421967) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate
PubChem CID165421967
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2nccn2[C@@H]2CCC[C@@H](CO)C2)n1
InChIInChI=1S/C17H21N3O3/c1-23-17(22)15-7-3-6-14(19-15)16-18-8-9-20(16)13-5-2-4-12(10-13)11-21/h3,6-9,12-13,21H,2,4-5,10-11H2,1H3/t12-,13-/m1/s1
InChIKeyJVBQBHSQZAMRJV-CHWSQXEVSA-N
XLogP2.46
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256
2-[2-[1-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 154818401
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
[(1S,3R)-3-[2-(6-methylquinolin-5-yl)imidazol-1-yl]cyclohexyl]methanol
CID 155503395
[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
CID 154823973
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
1-cyclobutyl-2-(1-methylpyrazol-3-yl)imidazole
CID 155911708
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
methyl 6-cycloheptyloxypyridine-2-carboxylate
CID 86694648
methyl 6-[1-[(3R,4S)-4-methoxyoxolan-3-yl]triazol-4-yl]pyridine-2-carboxylate
CID 167755753
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate (CID 165421967) is methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2nccn2[C@@H]2CCC[C@@H](CO)C2)n1.
What is the InChIKey of methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate?
The InChIKey is JVBQBHSQZAMRJV-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-23-17(22)15-7-3-6-14(19-15)16-18-8-9-20(16)13-5-2-4-12(10-13)11-21/h3,6-9,12-13,21H,2,4-5,10-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate?
methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]imidazol-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 165421967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).