1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea

C14H21N3O — CID 110661120

IUPAC1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
SMILESO=C(NCCCc1ccccn1)NC1CCCC1
InChIInChI=1S/C14H21N3O/c18-14(17-13-7-1-2-8-13)16-11-5-9-12-6-3-4-10-15-12/h3-4,6,10,13H,1-2,5,7-9,11H2,(H2,16,17,18)
InChIKeyXBCVXABRHAXRQD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea

1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea (PubChem CID 110661120) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
PubChem CID110661120
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
SMILESO=C(NCCCc1ccccn1)NC1CCCC1
InChIInChI=1S/C14H21N3O/c18-14(17-13-7-1-2-8-13)16-11-5-9-12-6-3-4-10-15-12/h3-4,6,10,13H,1-2,5,7-9,11H2,(H2,16,17,18)
InChIKeyXBCVXABRHAXRQD-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
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

3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111193162
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea (CID 110661120) is 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea is O=C(NCCCc1ccccn1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea?
The InChIKey is XBCVXABRHAXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(17-13-7-1-2-8-13)16-11-5-9-12-6-3-4-10-15-12/h3-4,6,10,13H,1-2,5,7-9,11H2,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea?
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea is sourced from PubChem (CID 110661120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).