[(E)-(2-amino-3-pyridinyl)methylideneamino]urea

C7H9N5O — CID 122358737

IUPAC[(E)-(2-amino-3-pyridinyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccnc1N
InChIInChI=1S/C7H9N5O/c8-6-5(2-1-3-10-6)4-11-12-7(9)13/h1-4H,(H2,8,10)(H3,9,12,13)/b11-4+
InChIKeyPQOYDLUTVNIFJD-NYYWCZLTSA-N
MW179.18 g/mol
LogP-0.33
Rot. Bonds2

About [(E)-(2-amino-3-pyridinyl)methylideneamino]urea

[(E)-(2-amino-3-pyridinyl)methylideneamino]urea (PubChem CID 122358737) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is [(E)-(2-amino-3-pyridinyl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-amino-3-pyridinyl)methylideneamino]urea
PubChem CID122358737
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name[(E)-(2-amino-3-pyridinyl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1cccnc1N
InChIInChI=1S/C7H9N5O/c8-6-5(2-1-3-10-6)4-11-12-7(9)13/h1-4H,(H2,8,10)(H3,9,12,13)/b11-4+
InChIKeyPQOYDLUTVNIFJD-NYYWCZLTSA-N
XLogP-0.33
TPSA106.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
2-N,5-N-bis[(Z)-(2-amino-3-pyridinyl)methylideneamino]-3,4-dipropoxythiophene-2,5-dicarboxamide
CID 44516695
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
CID 87802277
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
[(E)-benzylideneamino]urea
CID 6861419
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
[(3-bromo-2-cyanophenyl)methylideneamino]urea
CID 168533408
2-[(2-amino-3-pyridinyl)methylideneamino]-N-[3-[[2-[(2-amino-3-pyridinyl)methylideneamino]benzoyl]amino]propyl]benzamide
CID 11179938

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-amino-3-pyridinyl)methylideneamino]urea?
The IUPAC name of [(E)-(2-amino-3-pyridinyl)methylideneamino]urea (CID 122358737) is [(E)-(2-amino-3-pyridinyl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-amino-3-pyridinyl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-amino-3-pyridinyl)methylideneamino]urea is NC(=O)N/N=C/c1cccnc1N.
What is the InChIKey of [(E)-(2-amino-3-pyridinyl)methylideneamino]urea?
The InChIKey is PQOYDLUTVNIFJD-NYYWCZLTSA-N. The full InChI is InChI=1S/C7H9N5O/c8-6-5(2-1-3-10-6)4-11-12-7(9)13/h1-4H,(H2,8,10)(H3,9,12,13)/b11-4+.
What are the key properties of [(E)-(2-amino-3-pyridinyl)methylideneamino]urea?
[(E)-(2-amino-3-pyridinyl)methylideneamino]urea has a molecular weight of 179.18 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-amino-3-pyridinyl)methylideneamino]urea is sourced from PubChem (CID 122358737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).