7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C25H29N3O2S — CID 175642149

IUPAC7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3cccnc3SC/C=C/c3ccccc3)C2)C1=O
InChIInChI=1S/C25H29N3O2S/c1-2-15-27-16-12-25(24(27)30)13-17-28(19-25)23(29)21-11-6-14-26-22(21)31-18-7-10-20-8-4-3-5-9-20/h3-11,14H,2,12-13,15-19H2,1H3/b10-7+
InChIKeySMUITVDPGALPCA-JXMROGBWSA-N
MW435.59 g/mol
LogP4.36
Rot. Bonds7

About 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642149) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175642149
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3cccnc3SC/C=C/c3ccccc3)C2)C1=O
InChIInChI=1S/C25H29N3O2S/c1-2-15-27-16-12-25(24(27)30)13-17-28(19-25)23(29)21-11-6-14-26-22(21)31-18-7-10-20-8-4-3-5-9-20/h3-11,14H,2,12-13,15-19H2,1H3/b10-7+
InChIKeySMUITVDPGALPCA-JXMROGBWSA-N
XLogP4.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[2-(3-phenylprop-2-enylsulfanyl)pyridine-3-carbonyl]piperazin-2-one
CID 156609316
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
7-(2-ethoxypyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644513
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176500913
(6-hydroxy-1,4-oxazepan-4-yl)-[2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-pyridinyl]methanone
CID 70787978
2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72879896
(5S)-2-(3-phenyl-1,2-oxazole-4-carbonyl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97128119
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
7-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642466
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
2-[2-(N-methylanilino)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72940304

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 175642149) is 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)c3cccnc3SC/C=C/c3ccccc3)C2)C1=O.
What is the InChIKey of 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is SMUITVDPGALPCA-JXMROGBWSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-2-15-27-16-12-25(24(27)30)13-17-28(19-25)23(29)21-11-6-14-26-22(21)31-18-7-10-20-8-4-3-5-9-20/h3-11,14H,2,12-13,15-19H2,1H3/b10-7+.
What are the key properties of 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 435.59 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).