6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid

C12H16N2O3 — CID 122054965

IUPAC6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid
SMILESC/C=C/CC(CO)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-2-3-5-9(8-15)13-11-7-4-6-10(14-11)12(16)17/h2-4,6-7,9,15H,5,8H2,1H3,(H,13,14)(H,16,17)/b3-2+
InChIKeyZDWJJYLCIJMNJH-NSCUHMNNSA-N
MW236.27 g/mol
LogP1.52
Rot. Bonds6

About 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid

6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122054965) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID122054965
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid
SMILESC/C=C/CC(CO)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-2-3-5-9(8-15)13-11-7-4-6-10(14-11)12(16)17/h2-4,6-7,9,15H,5,8H2,1H3,(H,13,14)(H,16,17)/b3-2+
InChIKeyZDWJJYLCIJMNJH-NSCUHMNNSA-N
XLogP1.52
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
6-[[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057810
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057196
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
CID 122047939
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid (CID 122054965) is 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid is C/C=C/CC(CO)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is ZDWJJYLCIJMNJH-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-5-9(8-15)13-11-7-4-6-10(14-11)12(16)17/h2-4,6-7,9,15H,5,8H2,1H3,(H,13,14)(H,16,17)/b3-2+.
What are the key properties of 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid?
6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-1-hydroxyhex-4-en-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).