[4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate

C15H21N3O3 — CID 5141201

IUPAC[4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate
SMILESCC1(C)C=C(NO)CC(C)(C)N1OC(=O)c1ccccn1
InChIInChI=1S/C15H21N3O3/c1-14(2)9-11(17-20)10-15(3,4)18(14)21-13(19)12-7-5-6-8-16-12/h5-9,17,20H,10H2,1-4H3
InChIKeyVRKLPAIOCAQOIC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.28
Rot. Bonds3

About [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate

[4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate (PubChem CID 5141201) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate
PubChem CID5141201
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate
SMILESCC1(C)C=C(NO)CC(C)(C)N1OC(=O)c1ccccn1
InChIInChI=1S/C15H21N3O3/c1-14(2)9-11(17-20)10-15(3,4)18(14)21-13(19)12-7-5-6-8-16-12/h5-9,17,20H,10H2,1-4H3
InChIKeyVRKLPAIOCAQOIC-UHFFFAOYSA-N
XLogP2.28
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate
CID 556040
pyrrolidin-1-yl pyridine-2-carboxylate
CID 118695121
piperazin-1-yl pyridine-2-carboxylate;dihydrochloride
CID 177001655
ethyl pyridine-2-carboxylate
CID 17307
(1-cyclopropylcyclopropyl) pyridine-2-carboxylate
CID 71974826
prop-1-ynyl pyridine-2-carboxylate
CID 146626956
N-methylpyridine-2-carbohydrazide
CID 45084309
1-aminoethyl pyridine-2-carboxylate
CID 141264689
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-2-carboxylate
CID 2547008
2,2-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbaldehyde
CID 144817196

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate?
The IUPAC name of [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate (CID 5141201) is [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate.
What is the SMILES notation for [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate?
The canonical SMILES for [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate is CC1(C)C=C(NO)CC(C)(C)N1OC(=O)c1ccccn1.
What is the InChIKey of [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate?
The InChIKey is VRKLPAIOCAQOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-14(2)9-11(17-20)10-15(3,4)18(14)21-13(19)12-7-5-6-8-16-12/h5-9,17,20H,10H2,1-4H3.
What are the key properties of [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate?
[4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyamino)-2,2,6,6-tetramethyl-3H-pyridin-1-yl] pyridine-2-carboxylate is sourced from PubChem (CID 5141201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).