1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea

C15H17N3O2 — CID 47248692

IUPAC1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
SMILESCOc1cccc(CCNC(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H17N3O2/c1-20-13-6-4-5-12(11-13)8-10-17-15(19)18-14-7-2-3-9-16-14/h2-7,9,11H,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyXABCCUABWSSBNU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea

1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea (PubChem CID 47248692) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
PubChem CID47248692
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
SMILESCOc1cccc(CCNC(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H17N3O2/c1-20-13-6-4-5-12(11-13)8-10-17-15(19)18-14-7-2-3-9-16-14/h2-7,9,11H,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyXABCCUABWSSBNU-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

1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703834
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea (CID 47248692) is 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea is COc1cccc(CCNC(=O)Nc2ccccn2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea?
The InChIKey is XABCCUABWSSBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-13-6-4-5-12(11-13)8-10-17-15(19)18-14-7-2-3-9-16-14/h2-7,9,11H,8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea?
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea 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-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 47248692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).