3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea

C18H27N3O2 — CID 84585961

IUPAC3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NC(c1ccccn1)C1CCCC1
InChIInChI=1S/C18H27N3O2/c1-21(12-14-9-11-23-13-14)18(22)20-17(15-6-2-3-7-15)16-8-4-5-10-19-16/h4-5,8,10,14-15,17H,2-3,6-7,9,11-13H2,1H3,(H,20,22)
InChIKeyOVWALURMCUPJHV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.99
Rot. Bonds5

About 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea

3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 84585961) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID84585961
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NC(c1ccccn1)C1CCCC1
InChIInChI=1S/C18H27N3O2/c1-21(12-14-9-11-23-13-14)18(22)20-17(15-6-2-3-7-15)16-8-4-5-10-19-16/h4-5,8,10,14-15,17H,2-3,6-7,9,11-13H2,1H3,(H,20,22)
InChIKeyOVWALURMCUPJHV-UHFFFAOYSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 84585961) is 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)NC(c1ccccn1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is OVWALURMCUPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(12-14-9-11-23-13-14)18(22)20-17(15-6-2-3-7-15)16-8-4-5-10-19-16/h4-5,8,10,14-15,17H,2-3,6-7,9,11-13H2,1H3,(H,20,22).
What are the key properties of 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 317.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(pyridin-2-yl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 84585961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).