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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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).