(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

C22H27N3O2 — CID 118293927

IUPAC(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCCOc1ccc(-c2cc(C)nc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-4-27-18-7-5-16(6-8-18)17-13-15(2)23-20(14-17)19-9-10-22(24-19)11-12-25(3)21(22)26/h5-8,13-14,19,24H,4,9-12H2,1-3H3/t19-,22+/m1/s1
InChIKeySHXFUMADKRZFOV-KNQAVFIVSA-N
MW365.48 g/mol
LogP3.48
Rot. Bonds4

About (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 118293927) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID118293927
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCCOc1ccc(-c2cc(C)nc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-4-27-18-7-5-16(6-8-18)17-13-15(2)23-20(14-17)19-9-10-22(24-19)11-12-25(3)21(22)26/h5-8,13-14,19,24H,4,9-12H2,1-3H3/t19-,22+/m1/s1
InChIKeySHXFUMADKRZFOV-KNQAVFIVSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293817
(2S,5R)-2-[4-(4-ethylsulfonylphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293865
(2R,5S)-2-[4-[2-(fluoromethoxy)phenyl]-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 121426750
(2S,5R)-2-[4-(5-ethoxy-2-fluorophenyl)-6-methylpyrimidin-2-yl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 72548571
(2R,5S)-2-[4-(3-ethoxyphenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293879
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)-5-fluoro-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118293811
7-methyl-2-[4-(4-methylthiophen-3-yl)-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 78137015
(2S,5S)-2-[4-(5-ethoxy-2-fluorophenyl)-3-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293835
2-[2-methyl-6-[(2S,5S)-7-methyl-6-oxo-1,7-diazaspiro[4.4]nonan-2-yl]-4-pyridinyl]-4-(trifluoromethyl)benzamide
CID 118293997
(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293869
(2R,5S)-2-[4-(5-cyclopropyloxy-2-fluorophenyl)-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118293899
(2R,5S)-2-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
CID 118294024

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one (CID 118293927) is (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one is CCOc1ccc(-c2cc(C)nc([C@H]3CC[C@@]4(CCN(C)C4=O)N3)c2)cc1.
What is the InChIKey of (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is SHXFUMADKRZFOV-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-27-18-7-5-16(6-8-18)17-13-15(2)23-20(14-17)19-9-10-22(24-19)11-12-25(3)21(22)26/h5-8,13-14,19,24H,4,9-12H2,1-3H3/t19-,22+/m1/s1.
What are the key properties of (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
(2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 365.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[4-(4-ethoxyphenyl)-6-methyl-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 118293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).