2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone

C14H20N4O — CID 65322440

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccnc(C(=O)N2CCCC3CCCC32)c1
InChIInChI=1S/C14H20N4O/c15-17-11-6-7-16-12(9-11)14(19)18-8-2-4-10-3-1-5-13(10)18/h6-7,9-10,13H,1-5,8,15H2,(H,16,17)
InChIKeyHXGWYISQVBNHSL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds2

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone (PubChem CID 65322440) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
PubChem CID65322440
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccnc(C(=O)N2CCCC3CCCC32)c1
InChIInChI=1S/C14H20N4O/c15-17-11-6-7-16-12(9-11)14(19)18-8-2-4-10-3-1-5-13(10)18/h6-7,9-10,13H,1-5,8,15H2,(H,16,17)
InChIKeyHXGWYISQVBNHSL-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone with MolForge

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Related Compounds

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249793
(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61051101
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 65322341
[4-(dimethylamino)piperidin-1-yl]-(4-hydrazinyl-2-pyridinyl)methanone
CID 62243583
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388424
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641595
(4-hydrazinyl-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234119
(4-ethylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62242778
(4-tert-butylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62237509
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120689002
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(5-aminopyrazin-2-yl)methanone
CID 113381911
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone (CID 65322440) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone is NNc1ccnc(C(=O)N2CCCC3CCCC32)c1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is HXGWYISQVBNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-17-11-6-7-16-12(9-11)14(19)18-8-2-4-10-3-1-5-13(10)18/h6-7,9-10,13H,1-5,8,15H2,(H,16,17).
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 65322440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).