1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea

C15H14N6O3 — CID 166386226

IUPAC1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea
SMILESCc1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)nn1
InChIInChI=1S/C15H14N6O3/c1-10-6-7-13(19-18-10)17-15(23)21-20-14(22)9-24-12-5-3-2-4-11(12)8-16/h2-7H,9H2,1H3,(H,20,22)(H2,17,19,21,23)
InChIKeyUXYMYURRFLJCCD-UHFFFAOYSA-N
MW326.32 g/mol
LogP0.89
Rot. Bonds4

About 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea

1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea (PubChem CID 166386226) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea
PubChem CID166386226
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC Name1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea
SMILESCc1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)nn1
InChIInChI=1S/C15H14N6O3/c1-10-6-7-13(19-18-10)17-15(23)21-20-14(22)9-24-12-5-3-2-4-11(12)8-16/h2-7H,9H2,1H3,(H,20,22)(H2,17,19,21,23)
InChIKeyUXYMYURRFLJCCD-UHFFFAOYSA-N
XLogP0.89
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 18292317
1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292956
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
N'-[2-(2-cyanophenoxy)acetyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanehydrazide
CID 24645648
2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247174
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide
CID 78610851

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea?
The IUPAC name of 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea (CID 166386226) is 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea.
What is the SMILES notation for 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea?
The canonical SMILES for 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea is Cc1ccc(NC(=O)NNC(=O)COc2ccccc2C#N)nn1.
What is the InChIKey of 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea?
The InChIKey is UXYMYURRFLJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-10-6-7-13(19-18-10)17-15(23)21-20-14(22)9-24-12-5-3-2-4-11(12)8-16/h2-7H,9H2,1H3,(H,20,22)(H2,17,19,21,23).
What are the key properties of 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea?
1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea has a molecular weight of 326.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-cyanophenoxy)acetyl]amino]-3-(6-methylpyridazin-3-yl)urea is sourced from PubChem (CID 166386226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).