azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone

C12H18N4O — CID 104642343

IUPACazepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(C(=O)N2CCCCCC2)nc1
InChIInChI=1S/C12H18N4O/c13-15-10-5-6-11(14-9-10)12(17)16-7-3-1-2-4-8-16/h5-6,9,15H,1-4,7-8,13H2
InChIKeyZXYKEXGPIXPDMD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.38
Rot. Bonds2

About azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone

azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone (PubChem CID 104642343) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
PubChem CID104642343
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Nameazepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
SMILESNNc1ccc(C(=O)N2CCCCCC2)nc1
InChIInChI=1S/C12H18N4O/c13-15-10-5-6-11(14-9-10)12(17)16-7-3-1-2-4-8-16/h5-6,9,15H,1-4,7-8,13H2
InChIKeyZXYKEXGPIXPDMD-UHFFFAOYSA-N
XLogP1.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.38
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

(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642815
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
[5-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109181202
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436314
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
(4-ethyl-4-methylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436346
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
1-cyclopropyl-3-[6-(piperidine-1-carbonyl)-3-pyridinyl]urea
CID 75503861
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone (CID 104642343) is azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone is NNc1ccc(C(=O)N2CCCCCC2)nc1.
What is the InChIKey of azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is ZXYKEXGPIXPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-15-10-5-6-11(14-9-10)12(17)16-7-3-1-2-4-8-16/h5-6,9,15H,1-4,7-8,13H2.
What are the key properties of azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone?
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 104642343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).