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

C14H19FN4O — CID 105388424

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESNNc1nccc(C(=O)N2CCCC3CCCC32)c1F
InChIInChI=1S/C14H19FN4O/c15-12-10(6-7-17-13(12)18-16)14(20)19-8-2-4-9-3-1-5-11(9)19/h6-7,9,11H,1-5,8,16H2,(H,17,18)
InChIKeyMRVOWEJWUVBOLX-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.91
Rot. Bonds2

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

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 105388424) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
PubChem CID105388424
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESNNc1nccc(C(=O)N2CCCC3CCCC32)c1F
InChIInChI=1S/C14H19FN4O/c15-12-10(6-7-17-13(12)18-16)14(20)19-8-2-4-9-3-1-5-11(9)19/h6-7,9,11H,1-5,8,16H2,(H,17,18)
InChIKeyMRVOWEJWUVBOLX-UHFFFAOYSA-N
XLogP1.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.91
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'}

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2,3-difluoro-4-pyridinyl)methanone
CID 105381490
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62659921
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 65322440
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 105387751
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
3-ethyl-4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)piperazin-2-one
CID 105388347
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
N-(2,6-dimethylpiperidin-1-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388549
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388522
(2,3-dimethylpiperidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105385102

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (CID 105388424) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is NNc1nccc(C(=O)N2CCCC3CCCC32)c1F.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is MRVOWEJWUVBOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-12-10(6-7-17-13(12)18-16)14(20)19-8-2-4-9-3-1-5-11(9)19/h6-7,9,11H,1-5,8,16H2,(H,17,18).
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 278.33 g/mol, XLogP of 1.91, 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-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 105388424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).