2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C23H24N4O3S — CID 146586000

IUPAC2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)n2)cc1
InChIInChI=1S/C23H24N4O3S/c1-29-16-6-4-14(5-7-16)19-13-31-22(27-19)26-15-9-23(10-15)11-17(12-23)30-21-18(20(24)28)3-2-8-25-21/h2-8,13,15,17H,9-12H2,1H3,(H2,24,28)(H,26,27)
InChIKeyLTFWVGIQFOGBCN-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.11
Rot. Bonds7

About 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146586000) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146586000
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)n2)cc1
InChIInChI=1S/C23H24N4O3S/c1-29-16-6-4-14(5-7-16)19-13-31-22(27-19)26-15-9-23(10-15)11-17(12-23)30-21-18(20(24)28)3-2-8-25-21/h2-8,13,15,17H,9-12H2,1H3,(H2,24,28)(H,26,27)
InChIKeyLTFWVGIQFOGBCN-UHFFFAOYSA-N
XLogP4.11
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
2-[6-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586035
2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 130248556
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722
2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146622130
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859725
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methoxypyridine-3-carboxamide
CID 134002964
2-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 141123181
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 126509238

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146586000) is 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is COc1ccc(-c2csc(NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)n2)cc1.
What is the InChIKey of 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is LTFWVGIQFOGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-29-16-6-4-14(5-7-16)19-13-31-22(27-19)26-15-9-23(10-15)11-17(12-23)30-21-18(20(24)28)3-2-8-25-21/h2-8,13,15,17H,9-12H2,1H3,(H2,24,28)(H,26,27).
What are the key properties of 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146586000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).