2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

C17H23N3O2 — CID 166098688

IUPAC2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1cccnc1CN1C(=O)NC2(CC(C(C)(C)C)C2)C1=O
InChIInChI=1S/C17H23N3O2/c1-11-6-5-7-18-13(11)10-20-14(21)17(19-15(20)22)8-12(9-17)16(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,19,22)
InChIKeyDNIUVYBKZAAKQT-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds2

About 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione

2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 166098688) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID166098688
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCc1cccnc1CN1C(=O)NC2(CC(C(C)(C)C)C2)C1=O
InChIInChI=1S/C17H23N3O2/c1-11-6-5-7-18-13(11)10-20-14(21)17(19-15(20)22)8-12(9-17)16(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,19,22)
InChIKeyDNIUVYBKZAAKQT-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione (CID 166098688) is 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is Cc1cccnc1CN1C(=O)NC2(CC(C(C)(C)C)C2)C1=O.
What is the InChIKey of 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is DNIUVYBKZAAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-6-5-7-18-13(11)10-20-14(21)17(19-15(20)22)8-12(9-17)16(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,19,22).
What are the key properties of 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione?
2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 301.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(3-methyl-2-pyridinyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 166098688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).