5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

C19H24N4O3 — CID 95868635

IUPAC5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)C2)CCC1=O
InChIInChI=1S/C19H24N4O3/c1-3-22-11-19(7-5-16(22)24)6-4-8-23(12-19)18(26)15-10-21-17(25)14(9-20)13(15)2/h10H,3-8,11-12H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyDJQZDKHVFWTTKX-IBGZPJMESA-N
MW356.43 g/mol
LogP1.42
Rot. Bonds2

About 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 95868635) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID95868635
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)C2)CCC1=O
InChIInChI=1S/C19H24N4O3/c1-3-22-11-19(7-5-16(22)24)6-4-8-23(12-19)18(26)15-10-21-17(25)14(9-20)13(15)2/h10H,3-8,11-12H2,1-2H3,(H,21,25)/t19-/m0/s1
InChIKeyDJQZDKHVFWTTKX-IBGZPJMESA-N
XLogP1.42
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96575497
2-ethyl-8-(3-phenylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 118792475
(6S)-2-ethyl-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870108
2-ethyl-8-(1-pyrrolidin-1-ylcyclopentanecarbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740405
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
CID 97279265
(6S)-8-[2-[2-(dimethylamino)ethyl]-5-methylpyrazole-3-carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95873836
2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740637
(6S)-2-ethyl-8-(2-pyridin-4-ylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95895738
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(2-oxo-1H-pyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97141575
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 95868635) is 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCN1C[C@]2(CCCN(C(=O)c3c[nH]c(=O)c(C#N)c3C)C2)CCC1=O.
What is the InChIKey of 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DJQZDKHVFWTTKX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-22-11-19(7-5-16(22)24)6-4-8-23(12-19)18(26)15-10-21-17(25)14(9-20)13(15)2/h10H,3-8,11-12H2,1-2H3,(H,21,25)/t19-/m0/s1.
What are the key properties of 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-2-ethyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carbonyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 95868635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).