(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone

C11H16N4O2 — CID 62968732

IUPAC(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
SMILESNNc1ccc(C(=O)N2CCCOCC2)cn1
InChIInChI=1S/C11H16N4O2/c12-14-10-3-2-9(8-13-10)11(16)15-4-1-6-17-7-5-15/h2-3,8H,1,4-7,12H2,(H,13,14)
InChIKeyDTCGSLHTQNEOLC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.23
Rot. Bonds2

About (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone

(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 62968732) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
PubChem CID62968732
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
SMILESNNc1ccc(C(=O)N2CCCOCC2)cn1
InChIInChI=1S/C11H16N4O2/c12-14-10-3-2-9(8-13-10)11(16)15-4-1-6-17-7-5-15/h2-3,8H,1,4-7,12H2,(H,13,14)
InChIKeyDTCGSLHTQNEOLC-UHFFFAOYSA-N
XLogP0.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
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

(2-hydrazinyl-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969077
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
[6-(2,3-dihydro-1H-inden-5-ylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 4582787
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
(6-hydrazinyl-3-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745686
(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 62247413
4-(6-hydrazinylpyridine-3-carbonyl)piperazine-2,6-dione
CID 66061854
(6-hydrazinyl-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62777869
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
(5-bromo-2-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969257

Frequently Asked Questions

What is the IUPAC name of (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone (CID 62968732) is (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone is NNc1ccc(C(=O)N2CCCOCC2)cn1.
What is the InChIKey of (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is DTCGSLHTQNEOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-14-10-3-2-9(8-13-10)11(16)15-4-1-6-17-7-5-15/h2-3,8H,1,4-7,12H2,(H,13,14).
What are the key properties of (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone?
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62968732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).