1-(4-bromo-2-pyridinyl)-3-cyclopentylurea

C11H14BrN3O — CID 108902777

IUPAC1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
SMILESO=C(Nc1cc(Br)ccn1)NC1CCCC1
InChIInChI=1S/C11H14BrN3O/c12-8-5-6-13-10(7-8)15-11(16)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,14,15,16)
InChIKeyYJHUNAOYTIPTAG-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea

1-(4-bromo-2-pyridinyl)-3-cyclopentylurea (PubChem CID 108902777) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
PubChem CID108902777
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
SMILESO=C(Nc1cc(Br)ccn1)NC1CCCC1
InChIInChI=1S/C11H14BrN3O/c12-8-5-6-13-10(7-8)15-11(16)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,14,15,16)
InChIKeyYJHUNAOYTIPTAG-UHFFFAOYSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide
CID 115274320
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535
1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
CID 178076459
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622
1-(4-bromo-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913036
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea (CID 108902777) is 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea is O=C(Nc1cc(Br)ccn1)NC1CCCC1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea?
The InChIKey is YJHUNAOYTIPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-8-5-6-13-10(7-8)15-11(16)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,13,14,15,16).
What are the key properties of 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea?
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea has a molecular weight of 284.16 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-3-cyclopentylurea is sourced from PubChem (CID 108902777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).