1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea

C20H23N3O4 — CID 139356080

IUPAC1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea
SMILESCOc1cc(NC(=O)NC2CCCC2)cc(-c2cccc3c2OCCO3)n1
InChIInChI=1S/C20H23N3O4/c1-25-18-12-14(22-20(24)21-13-5-2-3-6-13)11-16(23-18)15-7-4-8-17-19(15)27-10-9-26-17/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24)
InChIKeySXCPWYKUPUYIIM-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.59
Rot. Bonds4

About 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea

1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea (PubChem CID 139356080) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea
PubChem CID139356080
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea
SMILESCOc1cc(NC(=O)NC2CCCC2)cc(-c2cccc3c2OCCO3)n1
InChIInChI=1S/C20H23N3O4/c1-25-18-12-14(22-20(24)21-13-5-2-3-6-13)11-16(23-18)15-7-4-8-17-19(15)27-10-9-26-17/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24)
InChIKeySXCPWYKUPUYIIM-UHFFFAOYSA-N
XLogP3.59
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]carbamoyl]cyclohexyl]carbamate;2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxypyridin-4-amine;4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 158130376
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
ethyl 3-[[6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxy-3-pyridinyl]amino]benzoate
CID 139356019

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea (CID 139356080) is 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea is COc1cc(NC(=O)NC2CCCC2)cc(-c2cccc3c2OCCO3)n1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea?
The InChIKey is SXCPWYKUPUYIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-18-12-14(22-20(24)21-13-5-2-3-6-13)11-16(23-18)15-7-4-8-17-19(15)27-10-9-26-17/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea?
1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea has a molecular weight of 369.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-6-methoxy-4-pyridinyl]urea is sourced from PubChem (CID 139356080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).