N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

C19H21N5OS — CID 129475710

IUPACN-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2
InChIInChI=1S/C19H21N5OS/c1-14(25)24(12-15-2-7-26-13-15)17-8-19(17)3-5-23(6-4-19)18-11-21-16(9-20)10-22-18/h2,7,10-11,13,17H,3-6,8,12H2,1H3/t17-/m1/s1
InChIKeyLRGNWLGUXYRZBO-QGZVFWFLSA-N
MW367.48 g/mol
LogP2.82
Rot. Bonds4

About N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 129475710) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID129475710
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2
InChIInChI=1S/C19H21N5OS/c1-14(25)24(12-15-2-7-26-13-15)17-8-19(17)3-5-23(6-4-19)18-11-21-16(9-20)10-22-18/h2,7,10-11,13,17H,3-6,8,12H2,1H3/t17-/m1/s1
InChIKeyLRGNWLGUXYRZBO-QGZVFWFLSA-N
XLogP2.82
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128972946
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[6-(4-methoxypyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971972
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129337393
N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128994950
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189
N-[6-(3-methylsulfanylpropanoyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128974534
N-[6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971240
N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 129475710) is N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2.
What is the InChIKey of N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is LRGNWLGUXYRZBO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-14(25)24(12-15-2-7-26-13-15)17-8-19(17)3-5-23(6-4-19)18-11-21-16(9-20)10-22-18/h2,7,10-11,13,17H,3-6,8,12H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 367.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 129475710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).