2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide

C26H33F3N4O5S — CID 163739471

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
SMILESCC(C)(C)CS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H33F3N4O5S/c1-23(2,3)16-39(37,38)20-6-4-5-19(31-20)32-22(35)17-7-8-18(25(36,15-34)26(27,28)29)30-21(17)33-13-11-24(9-10-24)12-14-33/h4-8,34,36H,9-16H2,1-3H3,(H,31,32,35)/t25-/m1/s1
InChIKeyLGMNPKKAQKWSLT-RUZDIDTESA-N
MW570.63 g/mol
LogP3.67
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 163739471) has the molecular formula C26H33F3N4O5S and a molecular weight of 570.63 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
PubChem CID163739471
Molecular FormulaC26H33F3N4O5S
Molecular Weight570.63 g/mol
Exact Mass570.21
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide
SMILESCC(C)(C)CS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H33F3N4O5S/c1-23(2,3)16-39(37,38)20-6-4-5-19(31-20)32-22(35)17-7-8-18(25(36,15-34)26(27,28)29)30-21(17)33-13-11-24(9-10-24)12-14-33/h4-8,34,36H,9-16H2,1-3H3,(H,31,32,35)/t25-/m1/s1
InChIKeyLGMNPKKAQKWSLT-RUZDIDTESA-N
XLogP3.67
TPSA132.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.63
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 150185238
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CID 151063088
CID 151063088
CID 153625340
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CID 153625409
CID 153625409
CID 153625421
CID 153625421
CID 153625451
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CID 153625485
CID 153625485

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide (CID 163739471) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide is CC(C)(C)CS(=O)(=O)c1cccc(NC(=O)c2ccc([C@](O)(CO)C(F)(F)F)nc2N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is LGMNPKKAQKWSLT-RUZDIDTESA-N. The full InChI is InChI=1S/C26H33F3N4O5S/c1-23(2,3)16-39(37,38)20-6-4-5-19(31-20)32-22(35)17-7-8-18(25(36,15-34)26(27,28)29)30-21(17)33-13-11-24(9-10-24)12-14-33/h4-8,34,36H,9-16H2,1-3H3,(H,31,32,35)/t25-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 570.63 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2,2-dimethylpropylsulfonyl)-2-pyridinyl]-6-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163739471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).