2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium

C25H34Cl2N5O6Y- — CID 170612792

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium (PubChem CID 170612792) has the molecular formula C25H34Cl2N5O6Y- and a molecular weight of 660.39 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium
• PubChem CID: 170612792
• Molecular Formula: C25H34Cl2N5O6Y-
• Molecular Weight: 660.39 g/mol
• Exact Mass: 659.10
• IUPAC Name: 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium
• SMILES: CCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc(NO)c1.COC(=O)CCN1CCOC(C[NH-])C1.[Y]
• InChI: InChI=1S/C16H17Cl2N3O3.C9H17N2O3.Y/c1-2-14(24-16-13(18)7-11(17)9-20-16)15(22)19-8-10-4-3-5-12(6-10)21-23;1-13-9(12)2-3-11-4-5-14-8(6-10)7-11;/h3-7,9,14,21,23H,2,8H2,1H3,(H,19,22);8,10H,2-7H2,1H3;/q;-1
• InChIKey: NQWHSPOZOMOMRM-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 146.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.39
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium?

The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium (CID 170612792) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium.

What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium?

The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium is CCC(Oc1ncc(Cl)cc1Cl)C(=O)NCc1cccc(NO)c1.COC(=O)CCN1CCOC(C[NH-])C1.[Y].

What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium?

The InChIKey is NQWHSPOZOMOMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3.C9H17N2O3.Y/c1-2-14(24-16-13(18)7-11(17)9-20-16)15(22)19-8-10-4-3-5-12(6-10)21-23;1-13-9(12)2-3-11-4-5-14-8(6-10)7-11;/h3-7,9,14,21,23H,2,8H2,1H3,(H,19,22);8,10H,2-7H2,1H3;/q;-1;.

What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium?

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium has a molecular weight of 660.39 g/mol, XLogP of 3.96, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[[3-(hydroxyamino)phenyl]methyl]butanamide;[4-(3-methoxy-3-oxopropyl)morpholin-2-yl]methylazanide;yttrium is sourced from PubChem (CID 170612792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).