3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one

C20H32N2O3 — CID 146139195

IUPAC3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(CN(C)CC2CCC3(CCCCCC3)O2)c1=O
InChIInChI=1S/C20H32N2O3/c1-15-19(24-3)18(23)16(12-21-15)13-22(2)14-17-8-11-20(25-17)9-6-4-5-7-10-20/h12,17H,4-11,13-14H2,1-3H3,(H,21,23)
InChIKeyKRDKITOOAVYWMV-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.40
Rot. Bonds5

About 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one

3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one (PubChem CID 146139195) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
PubChem CID146139195
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(CN(C)CC2CCC3(CCCCCC3)O2)c1=O
InChIInChI=1S/C20H32N2O3/c1-15-19(24-3)18(23)16(12-21-15)13-22(2)14-17-8-11-20(25-17)9-6-4-5-7-10-20/h12,17H,4-11,13-14H2,1-3H3,(H,21,23)
InChIKeyKRDKITOOAVYWMV-UHFFFAOYSA-N
XLogP3.40
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one (CID 146139195) is 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one is COc1c(C)[nH]cc(CN(C)CC2CCC3(CCCCCC3)O2)c1=O.
What is the InChIKey of 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
The InChIKey is KRDKITOOAVYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15-19(24-3)18(23)16(12-21-15)13-22(2)14-17-8-11-20(25-17)9-6-4-5-7-10-20/h12,17H,4-11,13-14H2,1-3H3,(H,21,23).
What are the key properties of 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one has a molecular weight of 348.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-[[methyl(1-oxaspiro[4.6]undecan-2-ylmethyl)amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 146139195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).