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

C22H18N4O4 — CID 55763290

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H18N4O4/c1-29-15-8-10-16(11-9-15)30-22-18(6-4-12-23-22)25-21(28)14-26-19-7-3-2-5-17(19)20(27)13-24-26/h2-13H,14H2,1H3,(H,25,28)
InChIKeyAQYPBBZFYQPYHK-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.23
Rot. Bonds6

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

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 55763290) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID55763290
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C22H18N4O4/c1-29-15-8-10-16(11-9-15)30-22-18(6-4-12-23-22)25-21(28)14-26-19-7-3-2-5-17(19)20(27)13-24-26/h2-13H,14H2,1H3,(H,25,28)
InChIKeyAQYPBBZFYQPYHK-UHFFFAOYSA-N
XLogP3.23
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide
CID 47011287
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-(5-bromo-2-methoxyphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55905258
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 55763738
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55764173
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 55661128
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]butanamide
CID 55661422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide (CID 55763290) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide is COc1ccc(Oc2ncccc2NC(=O)Cn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is AQYPBBZFYQPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-29-15-8-10-16(11-9-15)30-22-18(6-4-12-23-22)25-21(28)14-26-19-7-3-2-5-17(19)20(27)13-24-26/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 402.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 55763290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).