2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide

C12H17N3O2 — CID 170756134

IUPAC2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide
SMILESNNC(=O)Cc1cccc(C2CCCCO2)n1
InChIInChI=1S/C12H17N3O2/c13-15-12(16)8-9-4-3-5-10(14-9)11-6-1-2-7-17-11/h3-5,11H,1-2,6-8,13H2,(H,15,16)
InChIKeyYMMKJPRQBMMNSQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.86
Rot. Bonds3

About 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide

2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide (PubChem CID 170756134) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide
PubChem CID170756134
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide
SMILESNNC(=O)Cc1cccc(C2CCCCO2)n1
InChIInChI=1S/C12H17N3O2/c13-15-12(16)8-9-4-3-5-10(14-9)11-6-1-2-7-17-11/h3-5,11H,1-2,6-8,13H2,(H,15,16)
InChIKeyYMMKJPRQBMMNSQ-UHFFFAOYSA-N
XLogP0.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)-6-[(2R)-oxan-2-yl]pyridine
CID 159971085
2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]acetic acid
CID 105480301
methyl 2-chloro-6-(oxan-2-yl)pyridine-3-carboxylate
CID 178200817
2-chloro-6-(oxan-2-yl)pyridin-3-amine
CID 115028133
6-[(2R)-oxolan-2-yl]pyridine-3-carboxamide
CID 135030167
2-(difluoromethyl)-6-(oxolan-2-yl)pyridine
CID 152696540
2-[6-(hydroxymethyl)-2-pyridinyl]oxan-4-ol
CID 19930227
N-[(6-cyclohexyl-2-pyridinyl)methyl]-2-methylpropanamide
CID 171593679
2-(oxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134338
2-(oxan-2-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131895
2-[2-(oxan-2-yl)-1,3-oxazol-4-yl]acetic acid
CID 115027246
2-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)phenyl]acetohydrazide
CID 105351843

Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide?
The IUPAC name of 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide (CID 170756134) is 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide is NNC(=O)Cc1cccc(C2CCCCO2)n1.
What is the InChIKey of 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide?
The InChIKey is YMMKJPRQBMMNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-15-12(16)8-9-4-3-5-10(14-9)11-6-1-2-7-17-11/h3-5,11H,1-2,6-8,13H2,(H,15,16).
What are the key properties of 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide?
2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide has a molecular weight of 235.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxan-2-yl)-2-pyridinyl]acetohydrazide is sourced from PubChem (CID 170756134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).