3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione

About 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione

3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 97275492) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione
PubChem CID	97275492
Molecular Formula	C20H25N5O4
Molecular Weight	399.45 g/mol
Exact Mass	399.19
IUPAC Name	3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione
SMILES	O=C(CN1C(=O)CNC1=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1
InChI	InChI=1S/C20H25N5O4/c26-16-5-7-20(14-24(16)11-15-4-1-2-8-21-15)6-3-9-23(13-20)18(28)12-25-17(27)10-22-19(25)29/h1-2,4,8H,3,5-7,9-14H2,(H,22,29)/t20-/m1/s1
InChIKey	HNXRIWOLUBGKHU-HXUWFJFHSA-N
XLogP	0.36
TPSA	102.92 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione (CID 97275492) is 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1.

What is the InChIKey of 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is HNXRIWOLUBGKHU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-16-5-7-20(14-24(16)11-15-4-1-2-8-21-15)6-3-9-23(13-20)18(28)12-25-17(27)10-22-19(25)29/h1-2,4,8H,3,5-7,9-14H2,(H,22,29)/t20-/m1/s1.

What are the key properties of 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione?

3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 399.45 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97275492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).