3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide

C16H18Cl2N4O2 — CID 60507497

IUPAC3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCc1ccc(-n2ncc(NCC(C)(C)C(N)=O)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C16H18Cl2N4O2/c1-9-4-5-10(6-11(9)17)22-14(23)13(18)12(7-21-22)20-8-16(2,3)15(19)24/h4-7,20H,8H2,1-3H3,(H2,19,24)
InChIKeyWQGQFFXOAPDXIU-UHFFFAOYSA-N
MW369.25 g/mol
LogP2.77
Rot. Bonds5

About 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide

3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide (PubChem CID 60507497) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
PubChem CID60507497
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
SMILESCc1ccc(-n2ncc(NCC(C)(C)C(N)=O)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C16H18Cl2N4O2/c1-9-4-5-10(6-11(9)17)22-14(23)13(18)12(7-21-22)20-8-16(2,3)15(19)24/h4-7,20H,8H2,1-3H3,(H2,19,24)
InChIKeyWQGQFFXOAPDXIU-UHFFFAOYSA-N
XLogP2.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-chloro-4-methylphenyl)-5-[(1-hydroxycyclobutyl)methylamino]pyridazin-3-one
CID 133329742
4-chloro-2-(3-chloro-4-methylphenyl)-5-[2-(2-methylprop-2-enoxy)ethylamino]pyridazin-3-one
CID 133366325
2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
CID 133441864
(2R)-2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-3-methylbutanoic acid
CID 122050893
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431
3-[[5-chloro-6-oxo-1-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507712
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
4-chloro-2-(3-chloro-4-methylphenyl)-5-(1,4-dithian-2-ylmethylamino)pyridazin-3-one
CID 133348862
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]pyridazin-3-one
CID 56584883
4-chloro-2-(3-chloro-4-methylphenyl)-5-(4-propanoylpiperazin-1-yl)pyridazin-3-one
CID 133285358
4-chloro-2-(3-chloro-4-methylphenyl)-5-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 133293053
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide (CID 60507497) is 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide is Cc1ccc(-n2ncc(NCC(C)(C)C(N)=O)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is WQGQFFXOAPDXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-9-4-5-10(6-11(9)17)22-14(23)13(18)12(7-21-22)20-8-16(2,3)15(19)24/h4-7,20H,8H2,1-3H3,(H2,19,24).
What are the key properties of 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide?
3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 369.25 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 60507497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).