N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide

C24H25N3O4S — CID 167759370

IUPACN-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1C(=O)c1cc(O)c2ccsc2c1)c1cccnc1
InChIInChI=1S/C24H25N3O4S/c28-20-10-17(11-21-19(20)3-9-32-21)23(30)27-15-24(4-7-31-8-5-24)12-18(27)14-26-22(29)16-2-1-6-25-13-16/h1-3,6,9-11,13,18,28H,4-5,7-8,12,14-15H2,(H,26,29)
InChIKeyBEUAQRKUZFIWQI-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.44
Rot. Bonds4

About N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide

N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 167759370) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
PubChem CID167759370
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CC2(CCOCC2)CN1C(=O)c1cc(O)c2ccsc2c1)c1cccnc1
InChIInChI=1S/C24H25N3O4S/c28-20-10-17(11-21-19(20)3-9-32-21)23(30)27-15-24(4-7-31-8-5-24)12-18(27)14-26-22(29)16-2-1-6-25-13-16/h1-3,6,9-11,13,18,28H,4-5,7-8,12,14-15H2,(H,26,29)
InChIKeyBEUAQRKUZFIWQI-UHFFFAOYSA-N
XLogP3.44
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide
CID 166329170
N-[[2-(4-chloro-3-hydroxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166328201
N-[[2-(2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167893388
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[2-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)ethyl]pyridine-3-carboxamide
CID 72850449
N-[[2-(6-fluoro-2H-benzotriazole-5-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]thiadiazole-5-carboxamide
CID 167805321
(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872736
N-[[2-(3-fluoropyrazin-2-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]isoquinoline-4-carboxamide
CID 166329181
N-[(5S,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-3-carboxamide
CID 124780444
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
N-[[(7S)-2-methyl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-3-carboxamide
CID 124813942
3-methyl-N-[[2-[(E)-3-(2-methyl-6-oxo-1H-pyrimidin-5-yl)prop-2-enoyl]-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 166329098

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide (CID 167759370) is N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CC2(CCOCC2)CN1C(=O)c1cc(O)c2ccsc2c1)c1cccnc1.
What is the InChIKey of N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is BEUAQRKUZFIWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-20-10-17(11-21-19(20)3-9-32-21)23(30)27-15-24(4-7-31-8-5-24)12-18(27)14-26-22(29)16-2-1-6-25-13-16/h1-3,6,9-11,13,18,28H,4-5,7-8,12,14-15H2,(H,26,29).
What are the key properties of N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide?
N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-hydroxy-1-benzothiophene-6-carbonyl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 167759370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).