1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea

C23H28N4O2 — CID 55684226

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccc2ccccc21)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C23H28N4O2/c28-23(25-14-6-15-27-16-12-18-7-1-4-11-21(18)27)26-17-19-8-5-13-24-22(19)29-20-9-2-3-10-20/h1,4-5,7-8,11-13,16,20H,2-3,6,9-10,14-15,17H2,(H2,25,26,28)
InChIKeyIFZLDERWLACBBY-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.25
Rot. Bonds8

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea (PubChem CID 55684226) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea
PubChem CID55684226
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccc2ccccc21)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C23H28N4O2/c28-23(25-14-6-15-27-16-12-18-7-1-4-11-21(18)27)26-17-19-8-5-13-24-22(19)29-20-9-2-3-10-20/h1,4-5,7-8,11-13,16,20H,2-3,6,9-10,14-15,17H2,(H2,25,26,28)
InChIKeyIFZLDERWLACBBY-UHFFFAOYSA-N
XLogP4.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
1-(3-indol-1-ylpropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111341096
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47029191
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084342

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea (CID 55684226) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea is O=C(NCCCn1ccc2ccccc21)NCc1cccnc1OC1CCCC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea?
The InChIKey is IFZLDERWLACBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-23(25-14-6-15-27-16-12-18-7-1-4-11-21(18)27)26-17-19-8-5-13-24-22(19)29-20-9-2-3-10-20/h1,4-5,7-8,11-13,16,20H,2-3,6,9-10,14-15,17H2,(H2,25,26,28).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea has a molecular weight of 392.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea is sourced from PubChem (CID 55684226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).