6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one

C17H30N2O2 — CID 82523460

IUPAC6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(C(C)(C)C)n(CCCOC)c1=O
InChIInChI=1S/C17H30N2O2/c1-6-10-18-13-14-8-9-15(17(2,3)4)19(16(14)20)11-7-12-21-5/h8-9,18H,6-7,10-13H2,1-5H3
InChIKeyIHDZWMAAASADGQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.68
Rot. Bonds8

About 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one

6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one (PubChem CID 82523460) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
PubChem CID82523460
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(C(C)(C)C)n(CCCOC)c1=O
InChIInChI=1S/C17H30N2O2/c1-6-10-18-13-14-8-9-15(17(2,3)4)19(16(14)20)11-7-12-21-5/h8-9,18H,6-7,10-13H2,1-5H3
InChIKeyIHDZWMAAASADGQ-UHFFFAOYSA-N
XLogP2.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
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
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
6-tert-butyl-1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
CID 82523464
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
3-(bromomethyl)-1-butyl-6-tert-butylpyridin-2-one
CID 82523700
2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
CID 82523698
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
3-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)propanoic acid
CID 82523689

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one (CID 82523460) is 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one is CCCNCc1ccc(C(C)(C)C)n(CCCOC)c1=O.
What is the InChIKey of 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is IHDZWMAAASADGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-10-18-13-14-8-9-15(17(2,3)4)19(16(14)20)11-7-12-21-5/h8-9,18H,6-7,10-13H2,1-5H3.
What are the key properties of 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one?
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 294.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82523460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).