2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile

C20H28N4O — CID 97133287

IUPAC2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C20H28N4O/c1-14(2)17-7-6-16(12-21)18(22-17)23-11-9-20(13-23)8-5-10-24(15(3)4)19(20)25/h6-7,14-15H,5,8-11,13H2,1-4H3/t20-/m0/s1
InChIKeyQVRJVTHONJRWSI-FQEVSTJZSA-N
MW340.47 g/mol
LogP3.30
Rot. Bonds3

About 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile

2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 97133287) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID97133287
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1ccc(C#N)c(N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C20H28N4O/c1-14(2)17-7-6-16(12-21)18(22-17)23-11-9-20(13-23)8-5-10-24(15(3)4)19(20)25/h6-7,14-15H,5,8-11,13H2,1-4H3/t20-/m0/s1
InChIKeyQVRJVTHONJRWSI-FQEVSTJZSA-N
XLogP3.30
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 97133287) is 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1ccc(C#N)c(N2CC[C@@]3(CCCN(C(C)C)C3=O)C2)n1.
What is the InChIKey of 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is QVRJVTHONJRWSI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)17-7-6-16(12-21)18(22-17)23-11-9-20(13-23)8-5-10-24(15(3)4)19(20)25/h6-7,14-15H,5,8-11,13H2,1-4H3/t20-/m0/s1.
What are the key properties of 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile?
2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 340.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 97133287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).