5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one

C16H25N3O — CID 114461976

IUPAC5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one
SMILESCC(C)(C)C1=CCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-6-8-18(9-7-13)10-11-19-12-14(17)4-5-15(19)20/h4-6,12H,7-11,17H2,1-3H3
InChIKeyFXTPBDHRAAZFEG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds3

About 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one (PubChem CID 114461976) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one
PubChem CID114461976
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one
SMILESCC(C)(C)C1=CCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-6-8-18(9-7-13)10-11-19-12-14(17)4-5-15(19)20/h4-6,12H,7-11,17H2,1-3H3
InChIKeyFXTPBDHRAAZFEG-UHFFFAOYSA-N
XLogP2.11
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one (CID 114461976) is 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one is CC(C)(C)C1=CCN(CCn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one?
The InChIKey is FXTPBDHRAAZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)13-6-8-18(9-7-13)10-11-19-12-14(17)4-5-15(19)20/h4-6,12H,7-11,17H2,1-3H3.
What are the key properties of 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 114461976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).