1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

C25H32N6O3 — CID 155527644

IUPAC1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
SMILESCCCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccnc(N)c4)C3=O)cc2)no1
InChIInChI=1S/C25H32N6O3/c1-3-4-23-28-24(29-34-23)19-5-7-21(8-6-19)33-16-11-18(2)10-13-30-14-15-31(25(30)32)20-9-12-27-22(26)17-20/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H2,26,27)
InChIKeyVNWZKDYHGXLDDI-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.40
Rot. Bonds11

About 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one (PubChem CID 155527644) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
PubChem CID155527644
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
SMILESCCCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccnc(N)c4)C3=O)cc2)no1
InChIInChI=1S/C25H32N6O3/c1-3-4-23-28-24(29-34-23)19-5-7-21(8-6-19)33-16-11-18(2)10-13-30-14-15-31(25(30)32)20-9-12-27-22(26)17-20/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H2,26,27)
InChIKeyVNWZKDYHGXLDDI-UHFFFAOYSA-N
XLogP4.40
TPSA110.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one (CID 155527644) is 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one is CCCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccnc(N)c4)C3=O)cc2)no1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
The InChIKey is VNWZKDYHGXLDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-3-4-23-28-24(29-34-23)19-5-7-21(8-6-19)33-16-11-18(2)10-13-30-14-15-31(25(30)32)20-9-12-27-22(26)17-20/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H2,26,27).
What are the key properties of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one has a molecular weight of 464.57 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one is sourced from PubChem (CID 155527644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).