N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C14H20FN5O — CID 105388522

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1nccc(C(=O)NC2CCN3CCCC3C2)c1F
InChIInChI=1S/C14H20FN5O/c15-12-11(3-5-17-13(12)19-16)14(21)18-9-4-7-20-6-1-2-10(20)8-9/h3,5,9-10H,1-2,4,6-8,16H2,(H,17,19)(H,18,21)
InChIKeyDMQOTLMJPYHSTR-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.86
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105388522) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105388522
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESNNc1nccc(C(=O)NC2CCN3CCCC3C2)c1F
InChIInChI=1S/C14H20FN5O/c15-12-11(3-5-17-13(12)19-16)14(21)18-9-4-7-20-6-1-2-10(20)8-9/h3,5,9-10H,1-2,4,6-8,16H2,(H,17,19)(H,18,21)
InChIKeyDMQOTLMJPYHSTR-UHFFFAOYSA-N
XLogP0.86
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388318
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388482
3-fluoro-2-hydrazinyl-N-(3-methylcyclobutyl)pyridine-4-carboxamide
CID 105388602
3-fluoro-2-hydrazinyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 105388506
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-difluorobenzamide
CID 107121293
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-bromo-5-fluorobenzamide
CID 112729017
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-fluorobenzamide
CID 113223634
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388424
N-(2,3-dimethylcyclohexyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387958
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)-2,6-dihydroxybenzamide
CID 103890321

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105388522) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is NNc1nccc(C(=O)NC2CCN3CCCC3C2)c1F.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is DMQOTLMJPYHSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c15-12-11(3-5-17-13(12)19-16)14(21)18-9-4-7-20-6-1-2-10(20)8-9/h3,5,9-10H,1-2,4,6-8,16H2,(H,17,19)(H,18,21).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105388522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).