2-(octan-4-ylamino)pyridine-3-carboxamide

C14H23N3O — CID 113249998

IUPAC2-(octan-4-ylamino)pyridine-3-carboxamide
SMILESCCCCC(CCC)Nc1ncccc1C(N)=O
InChIInChI=1S/C14H23N3O/c1-3-5-8-11(7-4-2)17-14-12(13(15)18)9-6-10-16-14/h6,9-11H,3-5,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyXBOCCVSGOXQTKO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.95
Rot. Bonds8

About 2-(octan-4-ylamino)pyridine-3-carboxamide

2-(octan-4-ylamino)pyridine-3-carboxamide (PubChem CID 113249998) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(octan-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(octan-4-ylamino)pyridine-3-carboxamide
PubChem CID113249998
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(octan-4-ylamino)pyridine-3-carboxamide
SMILESCCCCC(CCC)Nc1ncccc1C(N)=O
InChIInChI=1S/C14H23N3O/c1-3-5-8-11(7-4-2)17-14-12(13(15)18)9-6-10-16-14/h6,9-11H,3-5,7-8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyXBOCCVSGOXQTKO-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
2-(butylamino)pyridine-3-carboxamide
CID 29031037
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
CID 106357820
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
3-N-octan-4-ylpyridine-2,3-diamine
CID 106022702
2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
3-methyl-N-octan-4-ylpyrazin-2-amine
CID 106026404
2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
CID 61166764

Frequently Asked Questions

What is the IUPAC name of 2-(octan-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(octan-4-ylamino)pyridine-3-carboxamide (CID 113249998) is 2-(octan-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(octan-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(octan-4-ylamino)pyridine-3-carboxamide is CCCCC(CCC)Nc1ncccc1C(N)=O.
What is the InChIKey of 2-(octan-4-ylamino)pyridine-3-carboxamide?
The InChIKey is XBOCCVSGOXQTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-8-11(7-4-2)17-14-12(13(15)18)9-6-10-16-14/h6,9-11H,3-5,7-8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-(octan-4-ylamino)pyridine-3-carboxamide?
2-(octan-4-ylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 113249998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).