2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide

C17H18N4O4 — CID 125431781

IUPAC2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2ccc3nc(CO)[nH]c3c2)cn1C
InChIInChI=1S/C17H18N4O4/c1-10-5-14(23)15(7-21(10)2)25-9-17(24)18-11-3-4-12-13(6-11)20-16(8-22)19-12/h3-7,22H,8-9H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyDAEQGPLOMVPIKS-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.08
Rot. Bonds5

About 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 125431781) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID125431781
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide
SMILESCc1cc(=O)c(OCC(=O)Nc2ccc3nc(CO)[nH]c3c2)cn1C
InChIInChI=1S/C17H18N4O4/c1-10-5-14(23)15(7-21(10)2)25-9-17(24)18-11-3-4-12-13(6-11)20-16(8-22)19-12/h3-7,22H,8-9H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyDAEQGPLOMVPIKS-UHFFFAOYSA-N
XLogP1.08
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 71708390
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71701696
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]propanamide
CID 110204597
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 71702507
2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 46964448
2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-yl]acetamide
CID 91941334
N-(2-chloro-3H-benzimidazol-5-yl)-2-methoxyacetamide
CID 84581757
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
2-(2,4-dichlorophenoxy)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754121
2-(2,4-dichlorophenoxy)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]acetamide
CID 52754120

Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide (CID 125431781) is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide is Cc1cc(=O)c(OCC(=O)Nc2ccc3nc(CO)[nH]c3c2)cn1C.
What is the InChIKey of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is DAEQGPLOMVPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-10-5-14(23)15(7-21(10)2)25-9-17(24)18-11-3-4-12-13(6-11)20-16(8-22)19-12/h3-7,22H,8-9H2,1-2H3,(H,18,24)(H,19,20).
What are the key properties of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide?
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 125431781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).