5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid

C12H19N3O3 — CID 107203250

IUPAC5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCN(CCCCCO)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H19N3O3/c1-15(7-3-2-4-8-16)11-9(13)5-6-10(14-11)12(17)18/h5-6,16H,2-4,7-8,13H2,1H3,(H,17,18)
InChIKeySIDOWCITRFVZMO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.96
Rot. Bonds7

About 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid

5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 107203250) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID107203250
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCN(CCCCCO)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C12H19N3O3/c1-15(7-3-2-4-8-16)11-9(13)5-6-10(14-11)12(17)18/h5-6,16H,2-4,7-8,13H2,1H3,(H,17,18)
InChIKeySIDOWCITRFVZMO-UHFFFAOYSA-N
XLogP0.96
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114406641
5-amino-6-(4-methoxy-N-methylanilino)pyridine-2-carboxylic acid
CID 114406275
2-amino-3-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 107203240
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
5-amino-2-[5-hydroxypentyl(methyl)amino]benzoic acid
CID 63116498
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid (CID 107203250) is 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid is CN(CCCCCO)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SIDOWCITRFVZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(7-3-2-4-8-16)11-9(13)5-6-10(14-11)12(17)18/h5-6,16H,2-4,7-8,13H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107203250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).