3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea

C16H25N5O2 — CID 53185737

IUPAC3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCOc1nccnc1N1CCC(N(C)C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c1-20(16(22)19-12-5-3-4-6-12)13-7-10-21(11-13)14-15(23-2)18-9-8-17-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeyGYEJVDLURPACFE-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.65
Rot. Bonds4

About 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea

3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (PubChem CID 53185737) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
PubChem CID53185737
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea
SMILESCOc1nccnc1N1CCC(N(C)C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c1-20(16(22)19-12-5-3-4-6-12)13-7-10-21(11-13)14-15(23-2)18-9-8-17-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeyGYEJVDLURPACFE-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea (CID 53185737) is 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is COc1nccnc1N1CCC(N(C)C(=O)NC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
The InChIKey is GYEJVDLURPACFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-20(16(22)19-12-5-3-4-6-12)13-7-10-21(11-13)14-15(23-2)18-9-8-17-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea?
3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea has a molecular weight of 319.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methylurea is sourced from PubChem (CID 53185737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).