2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

C17H19N3OS — CID 97472963

IUPAC2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2cccnc2)CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C17H19N3OS/c21-16-17(13-20(16)15-2-1-6-18-10-15)4-7-19(8-5-17)11-14-3-9-22-12-14/h1-3,6,9-10,12H,4-5,7-8,11,13H2
InChIKeyMSWRCVQGXGRACV-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.77
Rot. Bonds3

About 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472963) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472963
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2cccnc2)CC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C17H19N3OS/c21-16-17(13-20(16)15-2-1-6-18-10-15)4-7-19(8-5-17)11-14-3-9-22-12-14/h1-3,6,9-10,12H,4-5,7-8,11,13H2
InChIKeyMSWRCVQGXGRACV-UHFFFAOYSA-N
XLogP2.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(4-ethylphenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472972
7-[(3-fluorophenyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472971
(5S)-6-methyl-9-pyridin-3-yl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373571
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
6-methyl-9-pyridin-3-yl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
CID 171697295
2-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171705447
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371135
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
7-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155854192
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131694882

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 97472963) is 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is O=C1N(c2cccnc2)CC12CCN(Cc1ccsc1)CC2.
What is the InChIKey of 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is MSWRCVQGXGRACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-16-17(13-20(16)15-2-1-6-18-10-15)4-7-19(8-5-17)11-14-3-9-22-12-14/h1-3,6,9-10,12H,4-5,7-8,11,13H2.
What are the key properties of 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 313.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).