1-ethyl-1-hydroxy-3-pyridin-3-ylurea

C8H11N3O2 — CID 130385554

IUPAC1-ethyl-1-hydroxy-3-pyridin-3-ylurea
SMILESCCN(O)C(=O)Nc1cccnc1
InChIInChI=1S/C8H11N3O2/c1-2-11(13)8(12)10-7-4-3-5-9-6-7/h3-6,13H,2H2,1H3,(H,10,12)
InChIKeyNFSKSEQQTMXNQW-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.32
Rot. Bonds2

About 1-ethyl-1-hydroxy-3-pyridin-3-ylurea

1-ethyl-1-hydroxy-3-pyridin-3-ylurea (PubChem CID 130385554) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-ethyl-1-hydroxy-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-ethyl-1-hydroxy-3-pyridin-3-ylurea
PubChem CID130385554
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-ethyl-1-hydroxy-3-pyridin-3-ylurea
SMILESCCN(O)C(=O)Nc1cccnc1
InChIInChI=1S/C8H11N3O2/c1-2-11(13)8(12)10-7-4-3-5-9-6-7/h3-6,13H,2H2,1H3,(H,10,12)
InChIKeyNFSKSEQQTMXNQW-UHFFFAOYSA-N
XLogP1.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.32
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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Related Compounds

3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
CID 143767682
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
CID 79257648
2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 62820189
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
2-(2-methylphenoxy)-N-pyridin-3-ylbutanamide
CID 46771486
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-hydroxy-3-pyridin-3-ylurea?
The IUPAC name of 1-ethyl-1-hydroxy-3-pyridin-3-ylurea (CID 130385554) is 1-ethyl-1-hydroxy-3-pyridin-3-ylurea.
What is the SMILES notation for 1-ethyl-1-hydroxy-3-pyridin-3-ylurea?
The canonical SMILES for 1-ethyl-1-hydroxy-3-pyridin-3-ylurea is CCN(O)C(=O)Nc1cccnc1.
What is the InChIKey of 1-ethyl-1-hydroxy-3-pyridin-3-ylurea?
The InChIKey is NFSKSEQQTMXNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-11(13)8(12)10-7-4-3-5-9-6-7/h3-6,13H,2H2,1H3,(H,10,12).
What are the key properties of 1-ethyl-1-hydroxy-3-pyridin-3-ylurea?
1-ethyl-1-hydroxy-3-pyridin-3-ylurea has a molecular weight of 181.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-hydroxy-3-pyridin-3-ylurea is sourced from PubChem (CID 130385554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).