[(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea

C13H11ClN4O — CID 126961628

IUPAC[(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN4O/c14-10-6-4-9(5-7-10)12-3-1-2-11(17-12)8-16-18-13(15)19/h1-8H,(H3,15,18,19)/b16-8+
InChIKeyDHURQWNFTTXDIN-LZYBPNLTSA-N
MW274.71 g/mol
LogP2.40
Rot. Bonds3

About [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea

[(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea (PubChem CID 126961628) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea.

Molecular Properties

Compound Name[(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea
PubChem CID126961628
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name[(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN4O/c14-10-6-4-9(5-7-10)12-3-1-2-11(17-12)8-16-18-13(15)19/h1-8H,(H3,15,18,19)/b16-8+
InChIKeyDHURQWNFTTXDIN-LZYBPNLTSA-N
XLogP2.40
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea?
The IUPAC name of [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea (CID 126961628) is [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea.
What is the SMILES notation for [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea?
The canonical SMILES for [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea is NC(=O)N/N=C/c1cccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea?
The InChIKey is DHURQWNFTTXDIN-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-10-6-4-9(5-7-10)12-3-1-2-11(17-12)8-16-18-13(15)19/h1-8H,(H3,15,18,19)/b16-8+.
What are the key properties of [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea?
[(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea has a molecular weight of 274.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[6-(4-chlorophenyl)-2-pyridinyl]methylideneamino]urea is sourced from PubChem (CID 126961628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).