(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate

C11H15NO3 — CID 146481396

IUPAC(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate
SMILESCOc1ccnc(C)c1OC(=O)C(C)C
InChIInChI=1S/C11H15NO3/c1-7(2)11(13)15-10-8(3)12-6-5-9(10)14-4/h5-7H,1-4H3
InChIKeyQAQKLQPJNQBLKT-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.96
Rot. Bonds3

About (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate

(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate (PubChem CID 146481396) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate
PubChem CID146481396
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate
SMILESCOc1ccnc(C)c1OC(=O)C(C)C
InChIInChI=1S/C11H15NO3/c1-7(2)11(13)15-10-8(3)12-6-5-9(10)14-4/h5-7H,1-4H3
InChIKeyQAQKLQPJNQBLKT-UHFFFAOYSA-N
XLogP1.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
[4-methoxy-2-[[(2S)-1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
CID 162758923
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
(4-methoxynaphthalen-1-yl) 2-methylpropanoate
CID 142734241
[4-methoxy-2-[[(2S)-1-[3-(2-methylphenyl)butan-2-yloxy]-1-oxopropan-2-yl]carbamoyl]-3-pyridinyl] 2-methylpropanoate
CID 156812688
[2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759043
[(2R,3R)-3-(2-methylphenyl)butan-2-yl] (2R)-4-[4-methoxy-3-(2-methylpropanoyloxy)-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 158460203
[2-[[(2S)-1-[(2S)-1,1-diphenylpropan-2-yl]oxy-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 121463652
[2-[[(2S)-1-(1,1-diphenylprop-1-en-2-yloxy)-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 177338305
[2-[[(2S)-1-[(2R,3R)-3-(4-fluorophenyl)butan-2-yl]oxy-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 139473028
[2-[[(2S)-1-[[(2R)-1,1-bis(4-fluorophenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162758794
[2-[[(1S)-1-[3-[bis(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 162759137

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate?
The IUPAC name of (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate (CID 146481396) is (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate.
What is the SMILES notation for (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate?
The canonical SMILES for (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate is COc1ccnc(C)c1OC(=O)C(C)C.
What is the InChIKey of (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate?
The InChIKey is QAQKLQPJNQBLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(2)11(13)15-10-8(3)12-6-5-9(10)14-4/h5-7H,1-4H3.
What are the key properties of (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate?
(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate has a molecular weight of 209.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate is sourced from PubChem (CID 146481396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).