1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea

C10H13N3O2 — CID 19894152

IUPAC1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea
SMILESNC(=O)N(O)CC1CC1c1ccncc1
InChIInChI=1S/C10H13N3O2/c11-10(14)13(15)6-8-5-9(8)7-1-3-12-4-2-7/h1-4,8-9,15H,5-6H2,(H2,11,14)
InChIKeyOIULQGFIACAUIS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.95
Rot. Bonds3

About 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea

1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea (PubChem CID 19894152) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea
PubChem CID19894152
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea
SMILESNC(=O)N(O)CC1CC1c1ccncc1
InChIInChI=1S/C10H13N3O2/c11-10(14)13(15)6-8-5-9(8)7-1-3-12-4-2-7/h1-4,8-9,15H,5-6H2,(H2,11,14)
InChIKeyOIULQGFIACAUIS-UHFFFAOYSA-N
XLogP0.95
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea?
The IUPAC name of 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea (CID 19894152) is 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea?
The canonical SMILES for 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea is NC(=O)N(O)CC1CC1c1ccncc1.
What is the InChIKey of 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea?
The InChIKey is OIULQGFIACAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(14)13(15)6-8-5-9(8)7-1-3-12-4-2-7/h1-4,8-9,15H,5-6H2,(H2,11,14).
What are the key properties of 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea?
1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea has a molecular weight of 207.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(2-pyridin-4-ylcyclopropyl)methyl]urea is sourced from PubChem (CID 19894152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).