N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

C22H25N5O2 — CID 121052464

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)c(C)c1
InChIInChI=1S/C22H25N5O2/c1-4-26(5-2)18-8-9-19(16(3)13-18)24-21(28)15-27-22(29)11-10-20(25-27)17-7-6-12-23-14-17/h6-14H,4-5,15H2,1-3H3,(H,24,28)
InChIKeySWKULHGHDAYXNG-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.10
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (PubChem CID 121052464) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
PubChem CID121052464
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)c(C)c1
InChIInChI=1S/C22H25N5O2/c1-4-26(5-2)18-8-9-19(16(3)13-18)24-21(28)15-27-22(29)11-10-20(25-27)17-7-6-12-23-14-17/h6-14H,4-5,15H2,1-3H3,(H,24,28)
InChIKeySWKULHGHDAYXNG-UHFFFAOYSA-N
XLogP3.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 121052528
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052428
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885622
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-(3-chloro-4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052405
N-(2,1,3-benzothiadiazol-4-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052487
N-(1,2-oxazol-3-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052475
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (CID 121052464) is N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The InChIKey is SWKULHGHDAYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-26(5-2)18-8-9-19(16(3)13-18)24-21(28)15-27-22(29)11-10-20(25-27)17-7-6-12-23-14-17/h6-14H,4-5,15H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).