N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide

C22H16N6O2 — CID 134004829

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C22H16N6O2/c29-20-12-25-28(18-7-3-1-5-16(18)20)13-22(30)26-15-9-10-21(23-11-15)27-14-24-17-6-2-4-8-19(17)27/h1-12,14H,13H2,(H,26,30)
InChIKeyXGYLIOPZUQOTDF-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.77
Rot. Bonds4

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 134004829) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID134004829
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C22H16N6O2/c29-20-12-25-28(18-7-3-1-5-16(18)20)13-22(30)26-15-9-10-21(23-11-15)27-14-24-17-6-2-4-8-19(17)27/h1-12,14H,13H2,(H,26,30)
InChIKeyXGYLIOPZUQOTDF-UHFFFAOYSA-N
XLogP2.77
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853339
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
CID 56532152
2-(4-acetylphenoxy)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]acetamide
CID 134004763
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 55632014
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55581155

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 134004829) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide is O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is XGYLIOPZUQOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c29-20-12-25-28(18-7-3-1-5-16(18)20)13-22(30)26-15-9-10-21(23-11-15)27-14-24-17-6-2-4-8-19(17)27/h1-12,14H,13H2,(H,26,30).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 396.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 134004829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).