6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one

C17H30N2O2 — CID 82523492

IUPAC6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCOCCn1c(C(C)(C)C)ccc(CNCC(C)C)c1=O
InChIInChI=1S/C17H30N2O2/c1-13(2)11-18-12-14-7-8-15(17(3,4)5)19(16(14)20)9-10-21-6/h7-8,13,18H,9-12H2,1-6H3
InChIKeyXDWSWESJUGBPOE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.54
Rot. Bonds7

About 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one

6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one (PubChem CID 82523492) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
PubChem CID82523492
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
SMILESCOCCn1c(C(C)(C)C)ccc(CNCC(C)C)c1=O
InChIInChI=1S/C17H30N2O2/c1-13(2)11-18-12-14-7-8-15(17(3,4)5)19(16(14)20)9-10-21-6/h7-8,13,18H,9-12H2,1-6H3
InChIKeyXDWSWESJUGBPOE-UHFFFAOYSA-N
XLogP2.54
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524193
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
CID 82523464
6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82523674
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
1-(3-methoxypropyl)-3-[(2-methylpropylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522193
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The IUPAC name of 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one (CID 82523492) is 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The canonical SMILES for 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one is COCCn1c(C(C)(C)C)ccc(CNCC(C)C)c1=O.
What is the InChIKey of 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one?
The InChIKey is XDWSWESJUGBPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)11-18-12-14-7-8-15(17(3,4)5)19(16(14)20)9-10-21-6/h7-8,13,18H,9-12H2,1-6H3.
What are the key properties of 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one?
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one has a molecular weight of 294.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82523492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).