1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H35N5O2 — CID 26140687

IUPAC1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C26H35N5O2/c1-21(2)10-17-31-25(33)30(16-5-6-22-8-14-27-15-9-22)24(32)26(31)11-18-29(19-12-26)20-23-7-3-4-13-28-23/h3-4,7-9,13-15,21H,5-6,10-12,16-20H2,1-2H3
InChIKeyAMQLITBZNDHCCP-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.75
Rot. Bonds9

About 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26140687) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26140687
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C26H35N5O2/c1-21(2)10-17-31-25(33)30(16-5-6-22-8-14-27-15-9-22)24(32)26(31)11-18-29(19-12-26)20-23-7-3-4-13-28-23/h3-4,7-9,13-15,21H,5-6,10-12,16-20H2,1-2H3
InChIKeyAMQLITBZNDHCCP-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutyl)-8-[(2R)-1-methylsulfanylpropan-2-yl]-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224271
3-benzyl-1-(2-phenylethyl)-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26142104
1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26144977
8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140834
8-[(2R)-2-methylbutyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137380
8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137020
8-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225397
8-[(2R)-1-hydroxypropan-2-yl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214497
1-ethyl-8-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214490
8-(2,2-dimethylpropyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139802
8-(3-methylbutyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109321
8-[(4-hydroxyphenyl)methyl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213795

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26140687) is 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccccn1)CC2.
What is the InChIKey of 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AMQLITBZNDHCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-21(2)10-17-31-25(33)30(16-5-6-22-8-14-27-15-9-22)24(32)26(31)11-18-29(19-12-26)20-23-7-3-4-13-28-23/h3-4,7-9,13-15,21H,5-6,10-12,16-20H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 449.60 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26140687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).