1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

C15H25N3O2 — CID 77065268

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCC3CCCC32)CCCC1
InChIInChI=1S/C15H25N3O2/c16-13(17-20)15(8-1-2-9-15)14(19)18-10-4-6-11-5-3-7-12(11)18/h11-12,20H,1-10H2,(H2,16,17)
InChIKeyJJMQOIABAFEANK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds2

About 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77065268) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77065268
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCCC3CCCC32)CCCC1
InChIInChI=1S/C15H25N3O2/c16-13(17-20)15(8-1-2-9-15)14(19)18-10-4-6-11-5-3-7-12(11)18/h11-12,20H,1-10H2,(H2,16,17)
InChIKeyJJMQOIABAFEANK-UHFFFAOYSA-N
XLogP2.08
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 55039947
1-(2-cyclopentylpyrrolidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589331
N'-hydroxy-1-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl)cyclopropane-1-carboximidamide
CID 103197557
N'-hydroxy-1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 77099107
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
N'-hydroxy-1-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carboximidamide
CID 80596778
1-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 76939914
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl-(1-aminocyclopropyl)methanone
CID 130991613
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (CID 77065268) is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCCC3CCCC32)CCCC1.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is JJMQOIABAFEANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-13(17-20)15(8-1-2-9-15)14(19)18-10-4-6-11-5-3-7-12(11)18/h11-12,20H,1-10H2,(H2,16,17).
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 279.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77065268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).