1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea

C16H17N3O2 — CID 108907670

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
SMILESCOc1ccc(/C=C/NC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-21-15-7-5-13(6-8-15)9-11-18-16(20)19-12-14-4-2-3-10-17-14/h2-11H,12H2,1H3,(H2,18,19,20)/b11-9+
InChIKeySPRNELTUEIPEOH-PKNBQFBNSA-N
MW283.33 g/mol
LogP2.56
Rot. Bonds5

About 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 108907670) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID108907670
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
SMILESCOc1ccc(/C=C/NC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-21-15-7-5-13(6-8-15)9-11-18-16(20)19-12-14-4-2-3-10-17-14/h2-11H,12H2,1H3,(H2,18,19,20)/b11-9+
InChIKeySPRNELTUEIPEOH-PKNBQFBNSA-N
XLogP2.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108906181
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 25252608
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57401810
1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907800
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea (CID 108907670) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea is COc1ccc(/C=C/NC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is SPRNELTUEIPEOH-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-7-5-13(6-8-15)9-11-18-16(20)19-12-14-4-2-3-10-17-14/h2-11H,12H2,1H3,(H2,18,19,20)/b11-9+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).