5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one

C13H17N3O2 — CID 106313226

IUPAC5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1=CCCN(C(=O)Cn2cc(N)ccc2=O)C1
InChIInChI=1S/C13H17N3O2/c1-10-3-2-6-15(7-10)13(18)9-16-8-11(14)4-5-12(16)17/h3-5,8H,2,6-7,9,14H2,1H3
InChIKeyQIIBLIVCINTGKD-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.61
Rot. Bonds2

About 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one

5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 106313226) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID106313226
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1=CCCN(C(=O)Cn2cc(N)ccc2=O)C1
InChIInChI=1S/C13H17N3O2/c1-10-3-2-6-15(7-10)13(18)9-16-8-11(14)4-5-12(16)17/h3-5,8H,2,6-7,9,14H2,1H3
InChIKeyQIIBLIVCINTGKD-UHFFFAOYSA-N
XLogP0.61
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.61
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-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one (CID 106313226) is 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one is CC1=CCCN(C(=O)Cn2cc(N)ccc2=O)C1.
What is the InChIKey of 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is QIIBLIVCINTGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-3-2-6-15(7-10)13(18)9-16-8-11(14)4-5-12(16)17/h3-5,8H,2,6-7,9,14H2,1H3.
What are the key properties of 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 106313226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).