N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide

C10H13ClFN5O — CID 139295693

IUPACN'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide
SMILESO=C(NNc1nccnc1Cl)N1CCCC(F)C1
InChIInChI=1S/C10H13ClFN5O/c11-8-9(14-4-3-13-8)15-16-10(18)17-5-1-2-7(12)6-17/h3-4,7H,1-2,5-6H2,(H,14,15)(H,16,18)
InChIKeyFEZCIIMVZNXASW-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.60
Rot. Bonds2

About N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide

N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide (PubChem CID 139295693) has the molecular formula C10H13ClFN5O and a molecular weight of 273.70 g/mol. Its IUPAC name is N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide
PubChem CID139295693
Molecular FormulaC10H13ClFN5O
Molecular Weight273.70 g/mol
Exact Mass273.08
IUPAC NameN'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide
SMILESO=C(NNc1nccnc1Cl)N1CCCC(F)C1
InChIInChI=1S/C10H13ClFN5O/c11-8-9(14-4-3-13-8)15-16-10(18)17-5-1-2-7(12)6-17/h3-4,7H,1-2,5-6H2,(H,14,15)(H,16,18)
InChIKeyFEZCIIMVZNXASW-UHFFFAOYSA-N
XLogP1.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloropyrazin-2-yl)-3-ethylpiperidine-1-carbohydrazide
CID 134299741
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide
CID 139295677
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
[3-(dimethylamino)piperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105386748
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide
CID 23577298
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 113391868
azetidin-1-yl-(2,3-dichloro-4-pyridinyl)methanone
CID 154067402

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide?
The IUPAC name of N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide (CID 139295693) is N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide.
What is the SMILES notation for N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide?
The canonical SMILES for N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide is O=C(NNc1nccnc1Cl)N1CCCC(F)C1.
What is the InChIKey of N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide?
The InChIKey is FEZCIIMVZNXASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN5O/c11-8-9(14-4-3-13-8)15-16-10(18)17-5-1-2-7(12)6-17/h3-4,7H,1-2,5-6H2,(H,14,15)(H,16,18).
What are the key properties of N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide?
N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide has a molecular weight of 273.70 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloropyrazin-2-yl)-3-fluoropiperidine-1-carbohydrazide is sourced from PubChem (CID 139295693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).