1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea

C13H18BrN3O2 — CID 91649414

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea
SMILESCOC1CCCC1NC(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C13H18BrN3O2/c1-8-6-9(14)7-15-12(8)17-13(18)16-10-4-3-5-11(10)19-2/h6-7,10-11H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyKMNQMJFPWNFEJZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.84
Rot. Bonds3

About 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea

1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea (PubChem CID 91649414) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea
PubChem CID91649414
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea
SMILESCOC1CCCC1NC(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C13H18BrN3O2/c1-8-6-9(14)7-15-12(8)17-13(18)16-10-4-3-5-11(10)19-2/h6-7,10-11H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyKMNQMJFPWNFEJZ-UHFFFAOYSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea (CID 91649414) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea is COC1CCCC1NC(=O)Nc1ncc(Br)cc1C.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea?
The InChIKey is KMNQMJFPWNFEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-8-6-9(14)7-15-12(8)17-13(18)16-10-4-3-5-11(10)19-2/h6-7,10-11H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea?
1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea has a molecular weight of 328.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-3-(2-methoxycyclopentyl)urea is sourced from PubChem (CID 91649414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).