1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea

C15H17N3O2 — CID 5297462

IUPAC1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
SMILESCOc1cccc(NC(=O)NCCc2ccncc2)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-4-2-3-13(11-14)18-15(19)17-10-7-12-5-8-16-9-6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,17,18,19)
InChIKeyFUGXVHWKIDOEHB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea

1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea (PubChem CID 5297462) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
PubChem CID5297462
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
SMILESCOc1cccc(NC(=O)NCCc2ccncc2)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-4-2-3-13(11-14)18-15(19)17-10-7-12-5-8-16-9-6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,17,18,19)
InChIKeyFUGXVHWKIDOEHB-UHFFFAOYSA-N
XLogP2.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide
CID 71848876
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(3-pyridin-4-yloxyphenyl)urea
CID 86940266

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea (CID 5297462) is 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea is COc1cccc(NC(=O)NCCc2ccncc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is FUGXVHWKIDOEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-4-2-3-13(11-14)18-15(19)17-10-7-12-5-8-16-9-6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 5297462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).