(1-pyridin-4-ylethylideneamino)urea

C8H10N4O — CID 2755736

IUPAC(1-pyridin-4-ylethylideneamino)urea
SMILESCC(=NNC(N)=O)c1ccncc1
InChIInChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-2-4-10-5-3-7/h2-5H,1H3,(H3,9,12,13)
InChIKeyXVCBYYCNEQFDPN-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.47
Rot. Bonds2

About (1-pyridin-4-ylethylideneamino)urea

(1-pyridin-4-ylethylideneamino)urea (PubChem CID 2755736) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is (1-pyridin-4-ylethylideneamino)urea.

Molecular Properties

Compound Name(1-pyridin-4-ylethylideneamino)urea
PubChem CID2755736
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name(1-pyridin-4-ylethylideneamino)urea
SMILESCC(=NNC(N)=O)c1ccncc1
InChIInChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-2-4-10-5-3-7/h2-5H,1H3,(H3,9,12,13)
InChIKeyXVCBYYCNEQFDPN-UHFFFAOYSA-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

N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
CID 54047416
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
[(E)-1-(furan-3-yl)ethylideneamino]urea
CID 122235604
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylethylideneamino)urea?
The IUPAC name of (1-pyridin-4-ylethylideneamino)urea (CID 2755736) is (1-pyridin-4-ylethylideneamino)urea.
What is the SMILES notation for (1-pyridin-4-ylethylideneamino)urea?
The canonical SMILES for (1-pyridin-4-ylethylideneamino)urea is CC(=NNC(N)=O)c1ccncc1.
What is the InChIKey of (1-pyridin-4-ylethylideneamino)urea?
The InChIKey is XVCBYYCNEQFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-2-4-10-5-3-7/h2-5H,1H3,(H3,9,12,13).
What are the key properties of (1-pyridin-4-ylethylideneamino)urea?
(1-pyridin-4-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 (1-pyridin-4-ylethylideneamino)urea is sourced from PubChem (CID 2755736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).