2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide

C13H19N3O2 — CID 113395403

IUPAC2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(OC2CCCC2N)n1
InChIInChI=1S/C13H19N3O2/c1-7-6-8(2)16-13(11(7)12(15)17)18-10-5-3-4-9(10)14/h6,9-10H,3-5,14H2,1-2H3,(H2,15,17)
InChIKeyPCAWXDIXYBORTK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.06
Rot. Bonds3

About 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide

2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide (PubChem CID 113395403) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide
PubChem CID113395403
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(OC2CCCC2N)n1
InChIInChI=1S/C13H19N3O2/c1-7-6-8(2)16-13(11(7)12(15)17)18-10-5-3-4-9(10)14/h6,9-10H,3-5,14H2,1-2H3,(H2,15,17)
InChIKeyPCAWXDIXYBORTK-UHFFFAOYSA-N
XLogP1.06
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide (CID 113395403) is 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(OC2CCCC2N)n1.
What is the InChIKey of 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is PCAWXDIXYBORTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7-6-8(2)16-13(11(7)12(15)17)18-10-5-3-4-9(10)14/h6,9-10H,3-5,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide?
2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 113395403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).