N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C12H13N5O2S — CID 76937853

IUPACN'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCc1nnc(Sc2nc3c(cc2C(N)=NO)CCC3)o1
InChIInChI=1S/C12H13N5O2S/c1-6-15-16-12(19-6)20-11-8(10(13)17-18)5-7-3-2-4-9(7)14-11/h5,18H,2-4H2,1H3,(H2,13,17)
InChIKeyUMZBKUQATYHUQY-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.51
Rot. Bonds3

About N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76937853) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76937853
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCc1nnc(Sc2nc3c(cc2C(N)=NO)CCC3)o1
InChIInChI=1S/C12H13N5O2S/c1-6-15-16-12(19-6)20-11-8(10(13)17-18)5-7-3-2-4-9(7)14-11/h5,18H,2-4H2,1H3,(H2,13,17)
InChIKeyUMZBKUQATYHUQY-UHFFFAOYSA-N
XLogP1.51
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76937853) is N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is Cc1nnc(Sc2nc3c(cc2C(N)=NO)CCC3)o1.
What is the InChIKey of N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is UMZBKUQATYHUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-6-15-16-12(19-6)20-11-8(10(13)17-18)5-7-3-2-4-9(7)14-11/h5,18H,2-4H2,1H3,(H2,13,17).
What are the key properties of N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 291.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76937853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).