2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

C16H19F3N4OS — CID 169131242

IUPAC2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1CCN1c1nc(N2CC3(CSC3)C2)cc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C16H19F3N4OS/c1-9-2-3-23(9)14-12(13(20)24)10(16(17,18)19)4-11(21-14)22-5-15(6-22)7-25-8-15/h4,9H,2-3,5-8H2,1H3,(H2,20,24)/t9-/m0/s1
InChIKeyZQBFWDHSAQNNSY-VIFPVBQESA-N
MW372.42 g/mol
LogP2.35
Rot. Bonds3

About 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide

2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 169131242) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID169131242
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H]1CCN1c1nc(N2CC3(CSC3)C2)cc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C16H19F3N4OS/c1-9-2-3-23(9)14-12(13(20)24)10(16(17,18)19)4-11(21-14)22-5-15(6-22)7-25-8-15/h4,9H,2-3,5-8H2,1H3,(H2,20,24)/t9-/m0/s1
InChIKeyZQBFWDHSAQNNSY-VIFPVBQESA-N
XLogP2.35
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetate
CID 169131246
methyl 2-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-2-azaspiro[3.3]heptane-6-carboxylate
CID 163211858
2-[(1S,5R)-3-[5-ethynyl-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid
CID 167408896
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
(2S)-2-methyl-1-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 175435524
5-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;prop-2-enal
CID 144571714
6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine
CID 157417364
2-[3-[6-(azetidin-1-yl)-5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 142773169
2-(4-amino-2-methylpiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 113284707
6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine
CID 162109522
2-[(1S,5R)-3-[6-[(2S)-2-methylazetidin-1-yl]-2-(trifluoromethoxy)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 170939512
methyl 2-[5-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]acetate
CID 175435457

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 169131242) is 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is C[C@H]1CCN1c1nc(N2CC3(CSC3)C2)cc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZQBFWDHSAQNNSY-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-9-2-3-23(9)14-12(13(20)24)10(16(17,18)19)4-11(21-14)22-5-15(6-22)7-25-8-15/h4,9H,2-3,5-8H2,1H3,(H2,20,24)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide?
2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylazetidin-1-yl]-6-(2-thia-6-azaspiro[3.3]heptan-6-yl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 169131242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).