N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide

C21H24N2O3 — CID 127600072

IUPACN-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
SMILESO=C(NC1CCOC2(CCCC2)C1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C21H24N2O3/c24-20(23-17-10-13-25-21(14-17)11-4-5-12-21)16-8-9-19(22-15-16)26-18-6-2-1-3-7-18/h1-3,6-9,15,17H,4-5,10-14H2,(H,23,24)
InChIKeyVNYFFQGWRNGWTR-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.10
Rot. Bonds4

About N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide

N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide (PubChem CID 127600072) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
PubChem CID127600072
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide
SMILESO=C(NC1CCOC2(CCCC2)C1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C21H24N2O3/c24-20(23-17-10-13-25-21(14-17)11-4-5-12-21)16-8-9-19(22-15-16)26-18-6-2-1-3-7-18/h1-3,6-9,15,17H,4-5,10-14H2,(H,23,24)
InChIKeyVNYFFQGWRNGWTR-UHFFFAOYSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide (CID 127600072) is N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide is O=C(NC1CCOC2(CCCC2)C1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide?
The InChIKey is VNYFFQGWRNGWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(23-17-10-13-25-21(14-17)11-4-5-12-21)16-8-9-19(22-15-16)26-18-6-2-1-3-7-18/h1-3,6-9,15,17H,4-5,10-14H2,(H,23,24).
What are the key properties of N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide?
N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxaspiro[4.5]decan-9-yl)-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 127600072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).