2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide

C12H20N4O2 — CID 115638141

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide
SMILESCN(CC(=O)NNc1ccccn1)C(C)(C)CO
InChIInChI=1S/C12H20N4O2/c1-12(2,9-17)16(3)8-11(18)15-14-10-6-4-5-7-13-10/h4-7,17H,8-9H2,1-3H3,(H,13,14)(H,15,18)
InChIKeyAOZNHORQUAKKRO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.23
Rot. Bonds6

About 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide

2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide (PubChem CID 115638141) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide
PubChem CID115638141
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide
SMILESCN(CC(=O)NNc1ccccn1)C(C)(C)CO
InChIInChI=1S/C12H20N4O2/c1-12(2,9-17)16(3)8-11(18)15-14-10-6-4-5-7-13-10/h4-7,17H,8-9H2,1-3H3,(H,13,14)(H,15,18)
InChIKeyAOZNHORQUAKKRO-UHFFFAOYSA-N
XLogP0.23
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N'-pyridin-2-ylacetohydrazide
CID 107485749
2-[2-hydroxyethyl(pentan-3-yl)amino]-N'-pyridin-2-ylacetohydrazide
CID 62014131
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
1-(dimethylamino)-3-(pyridin-2-ylamino)urea
CID 23526167
(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
CID 104876174
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
2-(1-aminopropan-2-ylsulfanyl)-N'-pyridin-2-ylacetohydrazide
CID 66244360
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 79410241
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N'-pyridin-2-ylacetohydrazide
CID 106618022
3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]benzoic acid
CID 43310184

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide (CID 115638141) is 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide is CN(CC(=O)NNc1ccccn1)C(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide?
The InChIKey is AOZNHORQUAKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,9-17)16(3)8-11(18)15-14-10-6-4-5-7-13-10/h4-7,17H,8-9H2,1-3H3,(H,13,14)(H,15,18).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide?
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide has a molecular weight of 252.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N'-pyridin-2-ylacetohydrazide is sourced from PubChem (CID 115638141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).