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

C19H27N3O3 — CID 131687891

IUPAC(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CCOC)C3=O)C2)cn1
InChIInChI=1S/C19H27N3O3/c1-4-16-6-5-15(11-20-16)17(23)22-12-14(2)19(13-22)7-8-21(18(19)24)9-10-25-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3/t14-,19-/m1/s1
InChIKeyHAJNCXPOYRYQBK-AUUYWEPGSA-N
MW345.44 g/mol
LogP1.60
Rot. Bonds5

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

(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131687891) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131687891
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CCOC)C3=O)C2)cn1
InChIInChI=1S/C19H27N3O3/c1-4-16-6-5-15(11-20-16)17(23)22-12-14(2)19(13-22)7-8-21(18(19)24)9-10-25-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3/t14-,19-/m1/s1
InChIKeyHAJNCXPOYRYQBK-AUUYWEPGSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687823
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(3-pyrimidin-5-ylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687935
(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131681940
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687886
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471715
(5S,9S)-2-ethyl-9-methyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155831092
(5S,9S)-7-benzyl-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471686
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155826254
(5S,9S)-9-methyl-7-(6-methylpyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124812787
(5S,9S)-7-(3-methoxypyridine-4-carbonyl)-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131688267
7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672334
(4S,5S)-4-(dimethylamino)-2-(6-ethylpyridine-3-carbonyl)-10-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-9-one
CID 131688215

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one (CID 131687891) is (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is CCc1ccc(C(=O)N2C[C@@H](C)[C@@]3(CCN(CCOC)C3=O)C2)cn1.
What is the InChIKey of (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is HAJNCXPOYRYQBK-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-16-6-5-15(11-20-16)17(23)22-12-14(2)19(13-22)7-8-21(18(19)24)9-10-25-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3/t14-,19-/m1/s1.
What are the key properties of (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 345.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131687891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).