3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide

C16H18ClN3O2 — CID 5079995

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H18ClN3O2/c1-11(2)18-15(21)9-10-20-16(22)8-7-14(19-20)12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)
InChIKeyJQKZBGDRIZQTKX-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.48
Rot. Bonds5

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 5079995) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID5079995
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C16H18ClN3O2/c1-11(2)18-15(21)9-10-20-16(22)8-7-14(19-20)12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21)
InChIKeyJQKZBGDRIZQTKX-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
N-butyl-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3239462
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-{3-[butyl(methyl)amino]propyl}-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3243725
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1-phenylethyl)propanamide
CID 5046315
2-(4-Chloro-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9563178
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
6-(4-chloro-3-methylphenyl)-N-cycloheptyl-2-[(4-fluorophenyl)methyl]-3-oxopyridazine-4-carboxamide
CID 137639360
6-(4-chloro-3-methylphenyl)-N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-oxopyridazine-4-carboxamide
CID 137645158
6-(4-chloro-3-methylphenyl)-N-cyclohexyl-2-[(4-methylphenyl)methyl]-3-oxopyridazine-4-carboxamide
CID 137655423

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide (CID 5079995) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is JQKZBGDRIZQTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11(2)18-15(21)9-10-20-16(22)8-7-14(19-20)12-3-5-13(17)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 5079995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).