N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

C20H19N5O2S — CID 123740808

IUPACN-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2occc2c1)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C20H19N5O2S/c26-20(22-12-13-1-2-17-15(11-13)6-10-27-17)14-4-8-25(9-5-14)16-3-7-21-19-18(16)23-28-24-19/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,22,26)
InChIKeyGVWWHTNSWMATSG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.37
Rot. Bonds4

About N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 123740808) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID123740808
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2occc2c1)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C20H19N5O2S/c26-20(22-12-13-1-2-17-15(11-13)6-10-27-17)14-4-8-25(9-5-14)16-3-7-21-19-18(16)23-28-24-19/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,22,26)
InChIKeyGVWWHTNSWMATSG-UHFFFAOYSA-N
XLogP3.37
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 144637763
N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 123200584
N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 144637743
N-[(3-fluorophenyl)methyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 134793193
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132
N-[(4-morpholin-4-ylphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 83278309
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133318641
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (CID 123740808) is N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is O=C(NCc1ccc2occc2c1)C1CCN(c2ccnc3nsnc23)CC1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is GVWWHTNSWMATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-20(22-12-13-1-2-17-15(11-13)6-10-27-17)14-4-8-25(9-5-14)16-3-7-21-19-18(16)23-28-24-19/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,22,26).
What are the key properties of N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 123740808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).