N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide

C13H10N4O2 — CID 80510052

IUPACN-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1nnccc1C#N
InChIInChI=1S/C13H10N4O2/c1-9(18)16-11-4-2-3-5-12(11)19-13-10(8-14)6-7-15-17-13/h2-7H,1H3,(H,16,18)
InChIKeyKHNLKUUHSSQNGD-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.10
Rot. Bonds3

About N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide

N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide (PubChem CID 80510052) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
PubChem CID80510052
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1nnccc1C#N
InChIInChI=1S/C13H10N4O2/c1-9(18)16-11-4-2-3-5-12(11)19-13-10(8-14)6-7-15-17-13/h2-7H,1H3,(H,16,18)
InChIKeyKHNLKUUHSSQNGD-UHFFFAOYSA-N
XLogP2.10
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
CID 80507952
3-(2-methylsulfanylphenoxy)pyridazine-4-carbonitrile
CID 80510912
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
CID 104717151
3-(2-chlorophenoxy)pyridazine-4-carbonitrile
CID 80510196
3-(2,3-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510176
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
2-(4-cyanopyridazin-3-yl)oxy-3-methoxybenzoic acid
CID 80516276
N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
CID 83074567
N-[2-(2-amino-5-cyanophenoxy)phenyl]acetamide
CID 104712475
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510977
(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide?
The IUPAC name of N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide (CID 80510052) is N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide is CC(=O)Nc1ccccc1Oc1nnccc1C#N.
What is the InChIKey of N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide?
The InChIKey is KHNLKUUHSSQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-9(18)16-11-4-2-3-5-12(11)19-13-10(8-14)6-7-15-17-13/h2-7H,1H3,(H,16,18).
What are the key properties of N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide?
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide has a molecular weight of 254.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide is sourced from PubChem (CID 80510052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).