1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea

C16H19N3O3 — CID 47032165

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccccn2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-7-6-13(11-15(14)22-2)19-16(20)18-10-8-12-5-3-4-9-17-12/h3-7,9,11H,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyGYTCMTHGKYWCFD-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.46
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea

1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 47032165) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID47032165
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCOc1ccc(NC(=O)NCCc2ccccn2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-7-6-13(11-15(14)22-2)19-16(20)18-10-8-12-5-3-4-9-17-12/h3-7,9,11H,8,10H2,1-2H3,(H2,18,19,20)
InChIKeyGYTCMTHGKYWCFD-UHFFFAOYSA-N
XLogP2.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea (CID 47032165) is 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea is COc1ccc(NC(=O)NCCc2ccccn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is GYTCMTHGKYWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-14-7-6-13(11-15(14)22-2)19-16(20)18-10-8-12-5-3-4-9-17-12/h3-7,9,11H,8,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea?
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 301.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 47032165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).