N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H22N4O2 — CID 82737472

IUPACN'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCC1OCCC1N(C)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H22N4O2/c1-9-13(6-7-21-9)19(2)15-11(14(16)18-20)8-10-4-3-5-12(10)17-15/h8-9,13,20H,3-7H2,1-2H3,(H2,16,18)
InChIKeyXWBPFHNBAUVFQF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.28
Rot. Bonds3

About N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 82737472) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID82737472
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCC1OCCC1N(C)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H22N4O2/c1-9-13(6-7-21-9)19(2)15-11(14(16)18-20)8-10-4-3-5-12(10)17-15/h8-9,13,20H,3-7H2,1-2H3,(H2,16,18)
InChIKeyXWBPFHNBAUVFQF-UHFFFAOYSA-N
XLogP1.28
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 82732653
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871
N'-hydroxy-2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 77014183
N'-hydroxy-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 104863970
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76940027
N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739305
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916593
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916574
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916930
2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916507
N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 77135913
N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917047

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 82737472) is N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CC1OCCC1N(C)c1nc2c(cc1C(N)=NO)CCC2.
What is the InChIKey of N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is XWBPFHNBAUVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-13(6-7-21-9)19(2)15-11(14(16)18-20)8-10-4-3-5-12(10)17-15/h8-9,13,20H,3-7H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-(2-methyloxolan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 82737472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).