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

C17H20N2O2 — CID 116551277

IUPAC1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
SMILESCOc1c(C)cnc(CC(=O)C(N)c2ccccc2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-10-19-14(12(2)17(11)21-3)9-15(20)16(18)13-7-5-4-6-8-13/h4-8,10,16H,9,18H2,1-3H3
InChIKeyGUCDYXZHSSYJHD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.52
Rot. Bonds5

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

1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one (PubChem CID 116551277) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
PubChem CID116551277
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
SMILESCOc1c(C)cnc(CC(=O)C(N)c2ccccc2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-10-19-14(12(2)17(11)21-3)9-15(20)16(18)13-7-5-4-6-8-13/h4-8,10,16H,9,18H2,1-3H3
InChIKeyGUCDYXZHSSYJHD-UHFFFAOYSA-N
XLogP2.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
3-ethoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,4-dimethylpentan-2-one
CID 116709812
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
2-(3-bromo-2-methyl-3-phenylpropyl)-4-methoxy-3,5-dimethylpyridine
CID 104846487
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 107101566
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one?
The IUPAC name of 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one (CID 116551277) is 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one?
The canonical SMILES for 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one is COc1c(C)cnc(CC(=O)C(N)c2ccccc2)c1C.
What is the InChIKey of 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one?
The InChIKey is GUCDYXZHSSYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-10-19-14(12(2)17(11)21-3)9-15(20)16(18)13-7-5-4-6-8-13/h4-8,10,16H,9,18H2,1-3H3.
What are the key properties of 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one?
1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one is sourced from PubChem (CID 116551277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).