5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide

C13H17N3O2 — CID 115767165

IUPAC5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C13H17N3O2/c1-3-11(6-7-17)16-13(18)12-5-4-10(8-14)9(2)15-12/h4-5,11,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyZFHSKTOAMIYPFL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.15
Rot. Bonds5

About 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide

5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide (PubChem CID 115767165) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
PubChem CID115767165
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C13H17N3O2/c1-3-11(6-7-17)16-13(18)12-5-4-10(8-14)9(2)15-12/h4-5,11,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyZFHSKTOAMIYPFL-UHFFFAOYSA-N
XLogP1.15
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide (CID 115767165) is 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide is CCC(CCO)NC(=O)c1ccc(C#N)c(C)n1.
What is the InChIKey of 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is ZFHSKTOAMIYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-11(6-7-17)16-13(18)12-5-4-10(8-14)9(2)15-12/h4-5,11,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide?
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 115767165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).