[(5-pyridin-2-ylcyclopenten-1-yl)amino]urea

C11H14N4O — CID 3371172

IUPAC[(5-pyridin-2-ylcyclopenten-1-yl)amino]urea
SMILESNC(=O)NNC1=CCCC1c1ccccn1
InChIInChI=1S/C11H14N4O/c12-11(16)15-14-10-6-3-4-8(10)9-5-1-2-7-13-9/h1-2,5-8,14H,3-4H2,(H3,12,15,16)
InChIKeyZPYASIFUBFVENA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.02
Rot. Bonds3

About [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea

[(5-pyridin-2-ylcyclopenten-1-yl)amino]urea (PubChem CID 3371172) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea.

Molecular Properties

Compound Name[(5-pyridin-2-ylcyclopenten-1-yl)amino]urea
PubChem CID3371172
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[(5-pyridin-2-ylcyclopenten-1-yl)amino]urea
SMILESNC(=O)NNC1=CCCC1c1ccccn1
InChIInChI=1S/C11H14N4O/c12-11(16)15-14-10-6-3-4-8(10)9-5-1-2-7-13-9/h1-2,5-8,14H,3-4H2,(H3,12,15,16)
InChIKeyZPYASIFUBFVENA-UHFFFAOYSA-N
XLogP1.02
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea?
The IUPAC name of [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea (CID 3371172) is [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea.
What is the SMILES notation for [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea?
The canonical SMILES for [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea is NC(=O)NNC1=CCCC1c1ccccn1.
What is the InChIKey of [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea?
The InChIKey is ZPYASIFUBFVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-11(16)15-14-10-6-3-4-8(10)9-5-1-2-7-13-9/h1-2,5-8,14H,3-4H2,(H3,12,15,16).
What are the key properties of [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea?
[(5-pyridin-2-ylcyclopenten-1-yl)amino]urea has a molecular weight of 218.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-pyridin-2-ylcyclopenten-1-yl)amino]urea is sourced from PubChem (CID 3371172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).