N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

C18H13N5O2 — CID 121052696

IUPACN-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C18H13N5O2/c19-11-14-3-1-2-4-15(14)21-17(24)12-23-18(25)6-5-16(22-23)13-7-9-20-10-8-13/h1-10H,12H2,(H,21,24)
InChIKeyUEMZADIDDVBGSH-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.82
Rot. Bonds4

About N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide

N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (PubChem CID 121052696) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
PubChem CID121052696
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C18H13N5O2/c19-11-14-3-1-2-4-15(14)21-17(24)12-23-18(25)6-5-16(22-23)13-7-9-20-10-8-13/h1-10H,12H2,(H,21,24)
InChIKeyUEMZADIDDVBGSH-UHFFFAOYSA-N
XLogP1.82
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052659
N-(2,3-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052763
N-(5-chloro-2-cyanophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050600
N-(4-nitrophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052626
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
N-(5-chloro-2-cyanophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050897
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide (CID 121052696) is N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is N#Cc1ccccc1NC(=O)Cn1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is UEMZADIDDVBGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-11-14-3-1-2-4-15(14)21-17(24)12-23-18(25)6-5-16(22-23)13-7-9-20-10-8-13/h1-10H,12H2,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 331.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).