4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile

C20H26N4O2 — CID 97122836

IUPAC4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)c1C#N
InChIInChI=1S/C20H26N4O2/c1-26-18-16(12-21)17(6-9-22-18)24-11-8-20(14-24)7-3-10-23(19(20)25)13-15-4-2-5-15/h6,9,15H,2-5,7-8,10-11,13-14H2,1H3/t20-/m0/s1
InChIKeyXSFNVAQJEKVLBB-FQEVSTJZSA-N
MW354.45 g/mol
LogP2.58
Rot. Bonds4

About 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile

4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 97122836) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID97122836
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)c1C#N
InChIInChI=1S/C20H26N4O2/c1-26-18-16(12-21)17(6-9-22-18)24-11-8-20(14-24)7-3-10-23(19(20)25)13-15-4-2-5-15/h6,9,15H,2-5,7-8,10-11,13-14H2,1H3/t20-/m0/s1
InChIKeyXSFNVAQJEKVLBB-FQEVSTJZSA-N
XLogP2.58
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile (CID 97122836) is 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CC[C@@]3(CCCN(CC4CCC4)C3=O)C2)c1C#N.
What is the InChIKey of 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is XSFNVAQJEKVLBB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-16(12-21)17(6-9-22-18)24-11-8-20(14-24)7-3-10-23(19(20)25)13-15-4-2-5-15/h6,9,15H,2-5,7-8,10-11,13-14H2,1H3/t20-/m0/s1.
What are the key properties of 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile?
4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 354.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 97122836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).