2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide

C17H18Cl2N4O2 — CID 133441864

IUPAC2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(-n2ncc(NCC(=O)NCC3CC3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c1-10-2-5-12(6-13(10)18)23-17(25)16(19)14(8-22-23)20-9-15(24)21-7-11-3-4-11/h2,5-6,8,11,20H,3-4,7,9H2,1H3,(H,21,24)
InChIKeyVXBQXIMPWUGBEB-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.79
Rot. Bonds6

About 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide

2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide (PubChem CID 133441864) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
PubChem CID133441864
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
SMILESCc1ccc(-n2ncc(NCC(=O)NCC3CC3)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C17H18Cl2N4O2/c1-10-2-5-12(6-13(10)18)23-17(25)16(19)14(8-22-23)20-9-15(24)21-7-11-3-4-11/h2,5-6,8,11,20H,3-4,7,9H2,1H3,(H,21,24)
InChIKeyVXBQXIMPWUGBEB-UHFFFAOYSA-N
XLogP2.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 60507497
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
4-chloro-2-(3-chloro-4-methylphenyl)-5-(1,4-dithian-2-ylmethylamino)pyridazin-3-one
CID 133348862
4-chloro-2-(4-chlorophenyl)-5-(2-cyclopropylethylamino)pyridazin-3-one
CID 133324274
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
(2R)-2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-3-methylbutanoic acid
CID 122050893
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 9195713
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133305246
methyl 4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoate
CID 47020590
4-chloro-2-(3-chloro-4-methylphenyl)-5-[[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]amino]pyridazin-3-one
CID 133404507
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide (CID 133441864) is 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide is Cc1ccc(-n2ncc(NCC(=O)NCC3CC3)c(Cl)c2=O)cc1Cl.
What is the InChIKey of 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is VXBQXIMPWUGBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-10-2-5-12(6-13(10)18)23-17(25)16(19)14(8-22-23)20-9-15(24)21-7-11-3-4-11/h2,5-6,8,11,20H,3-4,7,9H2,1H3,(H,21,24).
What are the key properties of 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide?
2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 381.26 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(3-chloro-4-methylphenyl)-6-oxopyridazin-4-yl]amino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 133441864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).