3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C23H24N2O3 — CID 46255528

IUPAC3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cc3ccncc3)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C23H24N2O3/c1-16-20(23(28-22(16)27)11-3-2-4-12-23)21(26)25-19-7-5-17(6-8-19)15-18-9-13-24-14-10-18/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,25,26)
InChIKeyIZQKGIVSHSUGGO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.19
Rot. Bonds4

About 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 46255528) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID46255528
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cc3ccncc3)cc2)C2(CCCCC2)OC1=O
InChIInChI=1S/C23H24N2O3/c1-16-20(23(28-22(16)27)11-3-2-4-12-23)21(26)25-19-7-5-17(6-8-19)15-18-9-13-24-14-10-18/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,25,26)
InChIKeyIZQKGIVSHSUGGO-UHFFFAOYSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 46255528) is 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(Cc3ccncc3)cc2)C2(CCCCC2)OC1=O.
What is the InChIKey of 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is IZQKGIVSHSUGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-20(23(28-22(16)27)11-3-2-4-12-23)21(26)25-19-7-5-17(6-8-19)15-18-9-13-24-14-10-18/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,25,26).
What are the key properties of 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 46255528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).