6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile

C12H12N4O3 — CID 137350960

IUPAC6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-n2cc(CO)n(C)c2=O)ncc1C#N
InChIInChI=1S/C12H12N4O3/c1-15-9(7-17)6-16(12(15)18)11-3-10(19-2)8(4-13)5-14-11/h3,5-6,17H,7H2,1-2H3
InChIKeyNDTXBRHHBXILBC-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.06
Rot. Bonds3

About 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile

6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile (PubChem CID 137350960) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile
PubChem CID137350960
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-n2cc(CO)n(C)c2=O)ncc1C#N
InChIInChI=1S/C12H12N4O3/c1-15-9(7-17)6-16(12(15)18)11-3-10(19-2)8(4-13)5-14-11/h3,5-6,17H,7H2,1-2H3
InChIKeyNDTXBRHHBXILBC-UHFFFAOYSA-N
XLogP-0.06
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile
CID 134524112
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
methyl 3-(5-cyano-4-methyl-2-pyridinyl)-2-oxo-1H-imidazole-5-carboxylate
CID 134523808
6-tert-butyl-4-methoxypyridine-3-carbonitrile
CID 82403915
6-(1-hydroxy-2-piperazin-1-ylethyl)-4-methoxypyridine-3-carbonitrile
CID 59568649
6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
CID 134524092
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methoxy]benzonitrile
CID 46516132
4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
CID 137351285
3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
CID 130065101
5-(hydroxymethyl)-4-iodo-2-methoxybenzonitrile
CID 131285021
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 134523720

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile (CID 137350960) is 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile is COc1cc(-n2cc(CO)n(C)c2=O)ncc1C#N.
What is the InChIKey of 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile?
The InChIKey is NDTXBRHHBXILBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-15-9(7-17)6-16(12(15)18)11-3-10(19-2)8(4-13)5-14-11/h3,5-6,17H,7H2,1-2H3.
What are the key properties of 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile?
6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile has a molecular weight of 260.25 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 137350960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).