1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea

C15H15N3O2 — CID 42878418

IUPAC1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C15H15N3O2/c1-2-10-16-15(19)18-12-8-9-14(17-11-12)20-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H2,16,18,19)
InChIKeyRBFZDEOOAACTBL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.18
Rot. Bonds5

About 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea

1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea (PubChem CID 42878418) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
PubChem CID42878418
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C15H15N3O2/c1-2-10-16-15(19)18-12-8-9-14(17-11-12)20-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H2,16,18,19)
InChIKeyRBFZDEOOAACTBL-UHFFFAOYSA-N
XLogP3.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
CID 68716824
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
3-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)butanamide
CID 120502960
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
(2S)-2-amino-4-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849184
4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540187
1-phenoxy-3-prop-2-enylurea
CID 119090624
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180597
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea?
The IUPAC name of 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea (CID 42878418) is 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea?
The InChIKey is RBFZDEOOAACTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-10-16-15(19)18-12-8-9-14(17-11-12)20-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H2,16,18,19).
What are the key properties of 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea?
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea has a molecular weight of 269.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea is sourced from PubChem (CID 42878418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).