5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid

C14H23N3O2 — CID 106028468

IUPAC5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
SMILESCCCCC(CCC)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(6-4-2)17-13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCRKAOYDRQJUEFR-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.13
Rot. Bonds8

About 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid

5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid (PubChem CID 106028468) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
PubChem CID106028468
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
SMILESCCCCC(CCC)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C14H23N3O2/c1-3-5-7-11(6-4-2)17-13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCRKAOYDRQJUEFR-UHFFFAOYSA-N
XLogP3.13
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

5-amino-6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-3-carboxylic acid
CID 81439016
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845
5-amino-6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 103113348
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 43187338
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291
5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
5-amino-6-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81439860
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid (CID 106028468) is 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid is CCCCC(CCC)Nc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
The InChIKey is CRKAOYDRQJUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-7-11(6-4-2)17-13-12(15)8-10(9-16-13)14(18)19/h8-9,11H,3-7,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid?
5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 106028468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).