3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one

C19H25N3O2 — CID 135112625

IUPAC3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(Cc2ccccn2)CC2CCCO2)c(C)c1=O
InChIInChI=1S/C19H25N3O2/c1-14-10-21-18(15(2)19(14)23)13-22(12-17-7-5-9-24-17)11-16-6-3-4-8-20-16/h3-4,6,8,10,17H,5,7,9,11-13H2,1-2H3,(H,21,23)
InChIKeyBKXQKJYHSNAVDH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.57
Rot. Bonds6

About 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one (PubChem CID 135112625) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
PubChem CID135112625
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN(Cc2ccccn2)CC2CCCO2)c(C)c1=O
InChIInChI=1S/C19H25N3O2/c1-14-10-21-18(15(2)19(14)23)13-22(12-17-7-5-9-24-17)11-16-6-3-4-8-20-16/h3-4,6,8,10,17H,5,7,9,11-13H2,1-2H3,(H,21,23)
InChIKeyBKXQKJYHSNAVDH-UHFFFAOYSA-N
XLogP2.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-2-[[[(2S)-oxolan-2-yl]methyl-(2-phenoxyethyl)amino]methyl]-1H-pyridin-4-one
CID 124907184
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614286
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95200553
3-methyl-5-[2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]ethyl]-1H-pyrimidine-2,4-dione
CID 135115719
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-methyl-3-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 46983238
N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 45235431
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 46979426
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 92614504
1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135099921
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43818156

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one (CID 135112625) is 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN(Cc2ccccn2)CC2CCCO2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
The InChIKey is BKXQKJYHSNAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-10-21-18(15(2)19(14)23)13-22(12-17-7-5-9-24-17)11-16-6-3-4-8-20-16/h3-4,6,8,10,17H,5,7,9,11-13H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 135112625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).