N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C16H20N2O3 — CID 2921146

IUPACN-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C16H20N2O3/c1-11-6-5-9-17-14(11)18-15(20)12-10-13(19)21-16(12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18,20)
InChIKeyRGNCTDVUGNIUTK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.59
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 2921146) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID2921146
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C16H20N2O3/c1-11-6-5-9-17-14(11)18-15(20)12-10-13(19)21-16(12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18,20)
InChIKeyRGNCTDVUGNIUTK-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 2921146) is N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is Cc1cccnc1NC(=O)C1CC(=O)OC12CCCCC2.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is RGNCTDVUGNIUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-5-9-17-14(11)18-15(20)12-10-13(19)21-16(12)7-3-2-4-8-16/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,17,18,20).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 2921146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).