6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile

C23H24N4O2 — CID 58237193

IUPAC6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
SMILESCc1cccc(C(=O)C[C@H]2CCC[C@]3(CCN(c4cccc(C#N)n4)C3=O)C2)n1
InChIInChI=1S/C23H24N4O2/c1-16-5-2-8-19(25-16)20(28)13-17-6-4-10-23(14-17)11-12-27(22(23)29)21-9-3-7-18(15-24)26-21/h2-3,5,7-9,17H,4,6,10-14H2,1H3/t17-,23+/m1/s1
InChIKeyJZLKCZQBGJKHIR-HXOBKFHXSA-N
MW388.47 g/mol
LogP3.84
Rot. Bonds4

About 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile

6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile (PubChem CID 58237193) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
PubChem CID58237193
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
SMILESCc1cccc(C(=O)C[C@H]2CCC[C@]3(CCN(c4cccc(C#N)n4)C3=O)C2)n1
InChIInChI=1S/C23H24N4O2/c1-16-5-2-8-19(25-16)20(28)13-17-6-4-10-23(14-17)11-12-27(22(23)29)21-9-3-7-18(15-24)26-21/h2-3,5,7-9,17H,4,6,10-14H2,1H3/t17-,23+/m1/s1
InChIKeyJZLKCZQBGJKHIR-HXOBKFHXSA-N
XLogP3.84
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile (CID 58237193) is 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile is Cc1cccc(C(=O)C[C@H]2CCC[C@]3(CCN(c4cccc(C#N)n4)C3=O)C2)n1.
What is the InChIKey of 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile?
The InChIKey is JZLKCZQBGJKHIR-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-5-2-8-19(25-16)20(28)13-17-6-4-10-23(14-17)11-12-27(22(23)29)21-9-3-7-18(15-24)26-21/h2-3,5,7-9,17H,4,6,10-14H2,1H3/t17-,23+/m1/s1.
What are the key properties of 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile?
6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R,7S)-7-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]-1-oxo-2-azaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 58237193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).