6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile

C23H27N5O — CID 130200984

IUPAC6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H27N5O/c1-17-13-18(14-24)15-25-20(17)28-16-22(26-21(28)29)9-11-23(12-10-22,27(2)3)19-7-5-4-6-8-19/h4-8,13,15H,9-12,16H2,1-3H3,(H,26,29)
InChIKeyVLQNXWSIQLBTEB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.56
Rot. Bonds3

About 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile

6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile (PubChem CID 130200984) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile
PubChem CID130200984
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile
SMILESCc1cc(C#N)cnc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C23H27N5O/c1-17-13-18(14-24)15-25-20(17)28-16-22(26-21(28)29)9-11-23(12-10-22,27(2)3)19-7-5-4-6-8-19/h4-8,13,15H,9-12,16H2,1-3H3,(H,26,29)
InChIKeyVLQNXWSIQLBTEB-UHFFFAOYSA-N
XLogP3.56
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile (CID 130200984) is 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile is Cc1cc(C#N)cnc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile?
The InChIKey is VLQNXWSIQLBTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-13-18(14-24)15-25-20(17)28-16-22(26-21(28)29)9-11-23(12-10-22,27(2)3)19-7-5-4-6-8-19/h4-8,13,15H,9-12,16H2,1-3H3,(H,26,29).
What are the key properties of 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile?
6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile has a molecular weight of 389.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130200984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).