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

C22H22N4O2S — CID 146586050

IUPAC2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nc(-c4ccccc4)cs3)C2)C1
InChIInChI=1S/C22H22N4O2S/c23-19(27)17-7-4-8-24-20(17)28-16-11-22(12-16)9-15(10-22)25-21-26-18(13-29-21)14-5-2-1-3-6-14/h1-8,13,15-16H,9-12H2,(H2,23,27)(H,25,26)
InChIKeyZCLVXSDKBGSOKM-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.11
Rot. Bonds6

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

2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146586050) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146586050
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CC2(CC(Nc3nc(-c4ccccc4)cs3)C2)C1
InChIInChI=1S/C22H22N4O2S/c23-19(27)17-7-4-8-24-20(17)28-16-11-22(12-16)9-15(10-22)25-21-26-18(13-29-21)14-5-2-1-3-6-14/h1-8,13,15-16H,9-12H2,(H2,23,27)(H,25,26)
InChIKeyZCLVXSDKBGSOKM-UHFFFAOYSA-N
XLogP4.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146586050) is 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CC2(CC(Nc3nc(-c4ccccc4)cs3)C2)C1.
What is the InChIKey of 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is ZCLVXSDKBGSOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c23-19(27)17-7-4-8-24-20(17)28-16-11-22(12-16)9-15(10-22)25-21-26-18(13-29-21)14-5-2-1-3-6-14/h1-8,13,15-16H,9-12H2,(H2,23,27)(H,25,26).
What are the key properties of 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-phenyl-1,3-thiazol-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146586050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).