(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C15H19N3O2 — CID 124812787

IUPAC(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCNC3=O)C2)cn1
InChIInChI=1S/C15H19N3O2/c1-10-8-18(9-15(10)5-6-16-14(15)20)13(19)12-4-3-11(2)17-7-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,20)/t10-,15-/m1/s1
InChIKeyFZHLSNQVROYGLE-MEBBXXQBSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds1

About (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124812787) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124812787
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCNC3=O)C2)cn1
InChIInChI=1S/C15H19N3O2/c1-10-8-18(9-15(10)5-6-16-14(15)20)13(19)12-4-3-11(2)17-7-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,20)/t10-,15-/m1/s1
InChIKeyFZHLSNQVROYGLE-MEBBXXQBSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-7-(cyclopropanecarbonyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 155873632
8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662428
(5S,9S)-9-methyl-1-oxo-N-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125242336
4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one
CID 62896067
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(5S,9S)-9-phenyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 127023256
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471715
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
(5S,9S)-2,9-dimethyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155847909

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 124812787) is (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCNC3=O)C2)cn1.
What is the InChIKey of (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FZHLSNQVROYGLE-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-8-18(9-15(10)5-6-16-14(15)20)13(19)12-4-3-11(2)17-7-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,20)/t10-,15-/m1/s1.
What are the key properties of (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 273.34 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124812787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).