1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one

C14H22N2O2 — CID 118491445

IUPAC1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one
SMILESCCc1c(OCC(=O)C(C)(C)C)cc(N)nc1C
InChIInChI=1S/C14H22N2O2/c1-6-10-9(2)16-13(15)7-11(10)18-8-12(17)14(3,4)5/h7H,6,8H2,1-5H3,(H2,15,16)
InChIKeyQPXMUJRPIAFFSK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.53
Rot. Bonds4

About 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one

1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one (PubChem CID 118491445) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one
PubChem CID118491445
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one
SMILESCCc1c(OCC(=O)C(C)(C)C)cc(N)nc1C
InChIInChI=1S/C14H22N2O2/c1-6-10-9(2)16-13(15)7-11(10)18-8-12(17)14(3,4)5/h7H,6,8H2,1-5H3,(H2,15,16)
InChIKeyQPXMUJRPIAFFSK-UHFFFAOYSA-N
XLogP2.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one (CID 118491445) is 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one is CCc1c(OCC(=O)C(C)(C)C)cc(N)nc1C.
What is the InChIKey of 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one?
The InChIKey is QPXMUJRPIAFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-10-9(2)16-13(15)7-11(10)18-8-12(17)14(3,4)5/h7H,6,8H2,1-5H3,(H2,15,16).
What are the key properties of 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one?
1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-ethyl-2-methyl-4-pyridinyl)oxy]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 118491445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).