N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C17H24N2O2 — CID 156605806

IUPACN-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC2CCC3CCCC32)c(=O)[nH]1
InChIInChI=1S/C17H24N2O2/c1-10(2)14-9-7-13(16(20)18-14)17(21)19-15-8-6-11-4-3-5-12(11)15/h7,9-12,15H,3-6,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVQLUYFNKHWKYNT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.81
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 156605806) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID156605806
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NC2CCC3CCCC32)c(=O)[nH]1
InChIInChI=1S/C17H24N2O2/c1-10(2)14-9-7-13(16(20)18-14)17(21)19-15-8-6-11-4-3-5-12(11)15/h7,9-12,15H,3-6,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVQLUYFNKHWKYNT-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 156605806) is N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NC2CCC3CCCC32)c(=O)[nH]1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is VQLUYFNKHWKYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10(2)14-9-7-13(16(20)18-14)17(21)19-15-8-6-11-4-3-5-12(11)15/h7,9-12,15H,3-6,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 156605806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).