3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one

C13H20N2O3 — CID 116594134

IUPAC3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
SMILESCOCC(N)C(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H20N2O3/c1-8-6-15-11(9(2)13(8)18-4)5-12(16)10(14)7-17-3/h6,10H,5,7,14H2,1-4H3
InChIKeyGXRRODPIZYLRIV-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.79
Rot. Bonds6

About 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one

3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one (PubChem CID 116594134) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one.

Molecular Properties

Compound Name3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
PubChem CID116594134
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
SMILESCOCC(N)C(=O)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C13H20N2O3/c1-8-6-15-11(9(2)13(8)18-4)5-12(16)10(14)7-17-3/h6,10H,5,7,14H2,1-4H3
InChIKeyGXRRODPIZYLRIV-UHFFFAOYSA-N
XLogP0.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
CID 116709812
1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
CID 116551277
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
CID 116557113
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]butanoic acid
CID 105352765
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982
7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
CID 116581697
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
The IUPAC name of 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one (CID 116594134) is 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one.
What is the SMILES notation for 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
The canonical SMILES for 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one is COCC(N)C(=O)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
The InChIKey is GXRRODPIZYLRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-6-15-11(9(2)13(8)18-4)5-12(16)10(14)7-17-3/h6,10H,5,7,14H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one?
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one has a molecular weight of 252.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one is sourced from PubChem (CID 116594134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).