5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid

C15H25N3O2 — CID 107817789

IUPAC5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
SMILESCC(C)CCCCCCNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C15H25N3O2/c1-11(2)7-5-3-4-6-10-17-14-12(16)8-9-13(18-14)15(19)20/h8-9,11H,3-7,10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGJXRXTAYGGLJQJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.38
Rot. Bonds9

About 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid

5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid (PubChem CID 107817789) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
PubChem CID107817789
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
SMILESCC(C)CCCCCCNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C15H25N3O2/c1-11(2)7-5-3-4-6-10-17-14-12(16)8-9-13(18-14)15(19)20/h8-9,11H,3-7,10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGJXRXTAYGGLJQJ-UHFFFAOYSA-N
XLogP3.38
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-(7-methyloctylamino)-1,3-oxazole-4-carboxylic acid
CID 107815533
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934
5-amino-6-(3-ethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 114406677
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid (CID 107817789) is 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid is CC(C)CCCCCCNc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid?
The InChIKey is GJXRXTAYGGLJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)7-5-3-4-6-10-17-14-12(16)8-9-13(18-14)15(19)20/h8-9,11H,3-7,10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid?
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).