5-amino-2-(octylamino)pyridine-3-carboxylic acid

C14H23N3O2 — CID 114047314

IUPAC5-amino-2-(octylamino)pyridine-3-carboxylic acid
SMILESCCCCCCCCNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C14H23N3O2/c1-2-3-4-5-6-7-8-16-13-12(14(18)19)9-11(15)10-17-13/h9-10H,2-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAFUJZFWCLUVESU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.13
Rot. Bonds9

About 5-amino-2-(octylamino)pyridine-3-carboxylic acid

5-amino-2-(octylamino)pyridine-3-carboxylic acid (PubChem CID 114047314) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-2-(octylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(octylamino)pyridine-3-carboxylic acid
PubChem CID114047314
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-2-(octylamino)pyridine-3-carboxylic acid
SMILESCCCCCCCCNc1ncc(N)cc1C(=O)O
InChIInChI=1S/C14H23N3O2/c1-2-3-4-5-6-7-8-16-13-12(14(18)19)9-11(15)10-17-13/h9-10H,2-8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyAFUJZFWCLUVESU-UHFFFAOYSA-N
XLogP3.13
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.13
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-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 114098601
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
4-amino-6-(pentylamino)pyridine-3-carboxylic acid
CID 112517916
5-amino-2-[(2-ethyl-2-methylsulfanylbutyl)amino]pyridine-3-carboxylic acid
CID 114117482
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-amino-2-bromo-N-hexylpyridine-3-carboxamide
CID 166390886
5-amino-2-ethylpyridine-3-carboxylic acid
CID 84652342
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(octylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(octylamino)pyridine-3-carboxylic acid (CID 114047314) is 5-amino-2-(octylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(octylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(octylamino)pyridine-3-carboxylic acid is CCCCCCCCNc1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(octylamino)pyridine-3-carboxylic acid?
The InChIKey is AFUJZFWCLUVESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-5-6-7-8-16-13-12(14(18)19)9-11(15)10-17-13/h9-10H,2-8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-(octylamino)pyridine-3-carboxylic acid?
5-amino-2-(octylamino)pyridine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(octylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114047314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).