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

C18H15ClN4O2 — CID 121052428

IUPACN-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-12-4-5-14(9-15(12)19)21-17(24)11-23-18(25)7-6-16(22-23)13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyNXCKPLPSHIHELK-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.91
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (PubChem CID 121052428) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
PubChem CID121052428
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-12-4-5-14(9-15(12)19)21-17(24)11-23-18(25)7-6-16(22-23)13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyNXCKPLPSHIHELK-UHFFFAOYSA-N
XLogP2.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052405
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
N-(3-chloro-4-methylphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 16800204
N-(2,3-dimethylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052418
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(1,2-oxazol-3-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052475
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052464
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (CID 121052428) is N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3cccnc3)ccc2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The InChIKey is NXCKPLPSHIHELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-12-4-5-14(9-15(12)19)21-17(24)11-23-18(25)7-6-16(22-23)13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide has a molecular weight of 354.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).