1-[(E)-benzylideneamino]-3-pyridin-4-ylurea

C13H12N4O — CID 10243365

IUPAC1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
SMILESO=C(N/N=C/c1ccccc1)Nc1ccncc1
InChIInChI=1S/C13H12N4O/c18-13(16-12-6-8-14-9-7-12)17-15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17,18)/b15-10+
InChIKeyAZVZKBWWICYDKQ-XNTDXEJSSA-N
MW240.27 g/mol
LogP2.24
Rot. Bonds3

About 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea

1-[(E)-benzylideneamino]-3-pyridin-4-ylurea (PubChem CID 10243365) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
PubChem CID10243365
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
SMILESO=C(N/N=C/c1ccccc1)Nc1ccncc1
InChIInChI=1S/C13H12N4O/c18-13(16-12-6-8-14-9-7-12)17-15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17,18)/b15-10+
InChIKeyAZVZKBWWICYDKQ-XNTDXEJSSA-N
XLogP2.24
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.24
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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Related Compounds

1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
phenyl N-(pyridin-4-ylmethylideneamino)carbamate
CID 54502700
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-4-yloxamide
CID 154631892
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-benzylideneamino]urea
CID 76853683

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea (CID 10243365) is 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea is O=C(N/N=C/c1ccccc1)Nc1ccncc1.
What is the InChIKey of 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea?
The InChIKey is AZVZKBWWICYDKQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(16-12-6-8-14-9-7-12)17-15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17,18)/b15-10+.
What are the key properties of 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea?
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea has a molecular weight of 240.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-benzylideneamino]-3-pyridin-4-ylurea is sourced from PubChem (CID 10243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).