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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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).