N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide

C13H18N2O2 — CID 113345728

IUPACN-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cncc(O)c2)C1
InChIInChI=1S/C13H18N2O2/c1-13(2)4-3-10(6-13)15-12(17)9-5-11(16)8-14-7-9/h5,7-8,10,16H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyQSDZPJRQPZIXHY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.10
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide

N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 113345728) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
PubChem CID113345728
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cncc(O)c2)C1
InChIInChI=1S/C13H18N2O2/c1-13(2)4-3-10(6-13)15-12(17)9-5-11(16)8-14-7-9/h5,7-8,10,16H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyQSDZPJRQPZIXHY-UHFFFAOYSA-N
XLogP2.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide (CID 113345728) is N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide is CC1(C)CCC(NC(=O)c2cncc(O)c2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is QSDZPJRQPZIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)4-3-10(6-13)15-12(17)9-5-11(16)8-14-7-9/h5,7-8,10,16H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 113345728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).