[(Z)-1-pyridin-3-ylethylideneamino]urea

C8H10N4O — CID 5355222

IUPAC[(Z)-1-pyridin-3-ylethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1cccnc1
InChIInChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5H,1H3,(H3,9,12,13)/b11-6-
InChIKeyHODYXTJELSPOJM-WDZFZDKYSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds2

About [(Z)-1-pyridin-3-ylethylideneamino]urea

[(Z)-1-pyridin-3-ylethylideneamino]urea (PubChem CID 5355222) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is [(Z)-1-pyridin-3-ylethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-pyridin-3-ylethylideneamino]urea
PubChem CID5355222
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name[(Z)-1-pyridin-3-ylethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1cccnc1
InChIInChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5H,1H3,(H3,9,12,13)/b11-6-
InChIKeyHODYXTJELSPOJM-WDZFZDKYSA-N
XLogP0.47
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.47
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

ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
molecular hydrogen;2-[1-oxo-1-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]propan-2-yl]sulfanyl-N-[(E)-1-pyridin-3-ylethylideneamino]propanamide
CID 172959555
N-cyclopropyl-N'-[(Z)-1-pyridin-3-ylethylideneamino]oxamide
CID 9352199
2-(4-hydroxyphenyl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 24818553
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-pyridin-3-ylethylideneamino]urea?
The IUPAC name of [(Z)-1-pyridin-3-ylethylideneamino]urea (CID 5355222) is [(Z)-1-pyridin-3-ylethylideneamino]urea.
What is the SMILES notation for [(Z)-1-pyridin-3-ylethylideneamino]urea?
The canonical SMILES for [(Z)-1-pyridin-3-ylethylideneamino]urea is C/C(=N/NC(N)=O)c1cccnc1.
What is the InChIKey of [(Z)-1-pyridin-3-ylethylideneamino]urea?
The InChIKey is HODYXTJELSPOJM-WDZFZDKYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-3-2-4-10-5-7/h2-5H,1H3,(H3,9,12,13)/b11-6-.
What are the key properties of [(Z)-1-pyridin-3-ylethylideneamino]urea?
[(Z)-1-pyridin-3-ylethylideneamino]urea has a molecular weight of 178.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-pyridin-3-ylethylideneamino]urea is sourced from PubChem (CID 5355222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).