2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium

C26H27Cl2N4O4Y- — CID 167336754

IUPAC2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium
SMILESCn1ncc(OCCN2CCOCC2)c(-c2ccc(C[CH-]NC(=O)c3c(Cl)cccc3Cl)cc2)c1=O.[Y]
InChIInChI=1S/C26H27Cl2N4O4.Y/c1-31-26(34)23(22(17-30-31)36-16-13-32-11-14-35-15-12-32)19-7-5-18(6-8-19)9-10-29-25(33)24-20(27)3-2-4-21(24)28;/h2-8,10,17H,9,11-16H2,1H3,(H,29,33);/q-1;
InChIKeyWPQVVESTZZZSHS-UHFFFAOYSA-N
MW619.34 g/mol
LogP3.60
Rot. Bonds9

About 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium

2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium (PubChem CID 167336754) has the molecular formula C26H27Cl2N4O4Y- and a molecular weight of 619.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium
PubChem CID167336754
Molecular FormulaC26H27Cl2N4O4Y-
Molecular Weight619.34 g/mol
Exact Mass618.05
IUPAC Name2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium
SMILESCn1ncc(OCCN2CCOCC2)c(-c2ccc(C[CH-]NC(=O)c3c(Cl)cccc3Cl)cc2)c1=O.[Y]
InChIInChI=1S/C26H27Cl2N4O4.Y/c1-31-26(34)23(22(17-30-31)36-16-13-32-11-14-35-15-12-32)19-7-5-18(6-8-19)9-10-29-25(33)24-20(27)3-2-4-21(24)28;/h2-8,10,17H,9,11-16H2,1H3,(H,29,33);/q-1;
InChIKeyWPQVVESTZZZSHS-UHFFFAOYSA-N
XLogP3.60
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methyl-5-morpholin-4-yl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 11272553
cesium;2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoic acid;hydride
CID 173253218
methyl 2,6-dichloro-3-(2-morpholin-4-ylethoxy)benzoate;hydrochloride
CID 70084406
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
3-morpholin-4-ylpropyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoate
CID 71552438
(E)-3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 114321214
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
4-[2-[2-[4-(2,3-dichlorophenyl)phenyl]pyrazol-3-yl]oxyethyl]morpholine
CID 18693316
N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide
CID 134195679
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 83283817
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium?
The IUPAC name of 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium (CID 167336754) is 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium.
What is the SMILES notation for 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium?
The canonical SMILES for 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium is Cn1ncc(OCCN2CCOCC2)c(-c2ccc(C[CH-]NC(=O)c3c(Cl)cccc3Cl)cc2)c1=O.[Y].
What is the InChIKey of 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium?
The InChIKey is WPQVVESTZZZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N4O4.Y/c1-31-26(34)23(22(17-30-31)36-16-13-32-11-14-35-15-12-32)19-7-5-18(6-8-19)9-10-29-25(33)24-20(27)3-2-4-21(24)28;/h2-8,10,17H,9,11-16H2,1H3,(H,29,33);/q-1;.
What are the key properties of 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium?
2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium has a molecular weight of 619.34 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[4-[2-methyl-5-(2-morpholin-4-ylethoxy)-3-oxopyridazin-4-yl]phenyl]ethyl]benzamide;yttrium is sourced from PubChem (CID 167336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).