1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea

C15H23N3O — CID 86992722

IUPAC1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCC1CCCC1)NCc1cccnc1
InChIInChI=1S/C15H23N3O/c19-15(18-12-14-8-3-9-16-11-14)17-10-4-7-13-5-1-2-6-13/h3,8-9,11,13H,1-2,4-7,10,12H2,(H2,17,18,19)
InChIKeyLCTSWGYUYRJECC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea

1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 86992722) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID86992722
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCCC1CCCC1)NCc1cccnc1
InChIInChI=1S/C15H23N3O/c19-15(18-12-14-8-3-9-16-11-14)17-10-4-7-13-5-1-2-6-13/h3,8-9,11,13H,1-2,4-7,10,12H2,(H2,17,18,19)
InChIKeyLCTSWGYUYRJECC-UHFFFAOYSA-N
XLogP2.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
CID 108911674
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
1-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 51264550
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea (CID 86992722) is 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCCCC1CCCC1)NCc1cccnc1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is LCTSWGYUYRJECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(18-12-14-8-3-9-16-11-14)17-10-4-7-13-5-1-2-6-13/h3,8-9,11,13H,1-2,4-7,10,12H2,(H2,17,18,19).
What are the key properties of 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea?
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 86992722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).