8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H33N3O2 — CID 70712179

IUPAC8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C)c(C(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)cn1
InChIInChI=1S/C22H33N3O2/c1-16(2)7-11-24-14-22(9-6-20(24)26)8-5-10-25(15-22)21(27)19-13-23-18(4)12-17(19)3/h12-13,16H,5-11,14-15H2,1-4H3
InChIKeyAHILQXVZWLSISK-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.59
Rot. Bonds4

About 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70712179) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70712179
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C)c(C(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)cn1
InChIInChI=1S/C22H33N3O2/c1-16(2)7-11-24-14-22(9-6-20(24)26)8-5-10-25(15-22)21(27)19-13-23-18(4)12-17(19)3/h12-13,16H,5-11,14-15H2,1-4H3
InChIKeyAHILQXVZWLSISK-UHFFFAOYSA-N
XLogP3.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70712179) is 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc(C)c(C(=O)N2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)cn1.
What is the InChIKey of 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is AHILQXVZWLSISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(2)7-11-24-14-22(9-6-20(24)26)8-5-10-25(15-22)21(27)19-13-23-18(4)12-17(19)3/h12-13,16H,5-11,14-15H2,1-4H3.
What are the key properties of 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70712179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).