4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile

C14H14N4O3 — CID 96577932

IUPAC4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CC[C@]3(CC(=O)NC3=O)C2)c1C#N
InChIInChI=1S/C14H14N4O3/c1-21-12-9(7-15)10(2-4-16-12)18-5-3-14(8-18)6-11(19)17-13(14)20/h2,4H,3,5-6,8H2,1H3,(H,17,19,20)/t14-/m0/s1
InChIKeyBFBUVXQFMKVNBX-AWEZNQCLSA-N
MW286.29 g/mol
LogP0.20
Rot. Bonds2

About 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile

4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 96577932) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID96577932
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CC[C@]3(CC(=O)NC3=O)C2)c1C#N
InChIInChI=1S/C14H14N4O3/c1-21-12-9(7-15)10(2-4-16-12)18-5-3-14(8-18)6-11(19)17-13(14)20/h2,4H,3,5-6,8H2,1H3,(H,17,19,20)/t14-/m0/s1
InChIKeyBFBUVXQFMKVNBX-AWEZNQCLSA-N
XLogP0.20
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile (CID 96577932) is 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CC[C@]3(CC(=O)NC3=O)C2)c1C#N.
What is the InChIKey of 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is BFBUVXQFMKVNBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-21-12-9(7-15)10(2-4-16-12)18-5-3-14(8-18)6-11(19)17-13(14)20/h2,4H,3,5-6,8H2,1H3,(H,17,19,20)/t14-/m0/s1.
What are the key properties of 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile?
4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 286.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 96577932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).