3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea

C9H13N3O4 — CID 134892709

IUPAC3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea
SMILESCOc1cc(NC(=O)N(C)O)nc(OC)c1
InChIInChI=1S/C9H13N3O4/c1-12(14)9(13)11-7-4-6(15-2)5-8(10-7)16-3/h4-5,14H,1-3H3,(H,10,11,13)
InChIKeyQNCHNSSBSZZVCN-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.95
Rot. Bonds3

About 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea

3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea (PubChem CID 134892709) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea.

Molecular Properties

Compound Name3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea
PubChem CID134892709
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea
SMILESCOc1cc(NC(=O)N(C)O)nc(OC)c1
InChIInChI=1S/C9H13N3O4/c1-12(14)9(13)11-7-4-6(15-2)5-8(10-7)16-3/h4-5,14H,1-3H3,(H,10,11,13)
InChIKeyQNCHNSSBSZZVCN-UHFFFAOYSA-N
XLogP0.95
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea?
The IUPAC name of 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea (CID 134892709) is 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea.
What is the SMILES notation for 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea?
The canonical SMILES for 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea is COc1cc(NC(=O)N(C)O)nc(OC)c1.
What is the InChIKey of 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea?
The InChIKey is QNCHNSSBSZZVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-12(14)9(13)11-7-4-6(15-2)5-8(10-7)16-3/h4-5,14H,1-3H3,(H,10,11,13).
What are the key properties of 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea?
3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea has a molecular weight of 227.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxy-2-pyridinyl)-1-hydroxy-1-methylurea is sourced from PubChem (CID 134892709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).