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

C14H22N4O2 — CID 76916507

IUPAC2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCN(CCOC)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C14H22N4O2/c1-3-18(7-8-20-2)14-11(13(15)17-19)9-10-5-4-6-12(10)16-14/h9,19H,3-8H2,1-2H3,(H2,15,17)
InChIKeyXKANWNFVPPAUKU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.14
Rot. Bonds6

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

2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916507) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916507
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCN(CCOC)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C14H22N4O2/c1-3-18(7-8-20-2)14-11(13(15)17-19)9-10-5-4-6-12(10)16-14/h9,19H,3-8H2,1-2H3,(H2,15,17)
InChIKeyXKANWNFVPPAUKU-UHFFFAOYSA-N
XLogP1.14
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.14
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

N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916593
2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63697557
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-[3-hydroxypropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916574
N'-hydroxy-2-(3-methoxypropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 77008681
N'-hydroxy-2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916958
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871
N'-hydroxy-2-(2-methylpropoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916525
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 79376792
2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916651

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916507) is 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCN(CCOC)c1nc2c(cc1C(N)=NO)CCC2.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is XKANWNFVPPAUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18(7-8-20-2)14-11(13(15)17-19)9-10-5-4-6-12(10)16-14/h9,19H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).