1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea

C16H18ClN3O3 — CID 3497619

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
SMILESCOc1cc(OC)c(NC(=O)NCCc2cccnc2)cc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-22-14-9-15(23-2)13(8-12(14)17)20-16(21)19-7-5-11-4-3-6-18-10-11/h3-4,6,8-10H,5,7H2,1-2H3,(H2,19,20,21)
InChIKeyBAJRPUCWASUFBI-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.12
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea (PubChem CID 3497619) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
PubChem CID3497619
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea
SMILESCOc1cc(OC)c(NC(=O)NCCc2cccnc2)cc1Cl
InChIInChI=1S/C16H18ClN3O3/c1-22-14-9-15(23-2)13(8-12(14)17)20-16(21)19-7-5-11-4-3-6-18-10-11/h3-4,6,8-10H,5,7H2,1-2H3,(H2,19,20,21)
InChIKeyBAJRPUCWASUFBI-UHFFFAOYSA-N
XLogP3.12
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55666455
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
1-(2-benzylsulfanylethyl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 3817217
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 126832926
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
ethyl 2-(2-pyridin-3-ylethylcarbamoylamino)benzoate
CID 4996691
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
2-(2-chlorophenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 46447544

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea (CID 3497619) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea is COc1cc(OC)c(NC(=O)NCCc2cccnc2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is BAJRPUCWASUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-14-9-15(23-2)13(8-12(14)17)20-16(21)19-7-5-11-4-3-6-18-10-11/h3-4,6,8-10H,5,7H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 335.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 3497619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).