1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one

C14H17N3O2 — CID 137449584

IUPAC1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(-c2cccc(C(C)(C)O)n2)c1=O
InChIInChI=1S/C14H17N3O2/c1-14(2,19)11-7-4-8-12(16-11)17-9-5-6-10(15-3)13(17)18/h4-9,15,19H,1-3H3
InChIKeyGLEMDWSDZZCEPN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds3

About 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one

1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one (PubChem CID 137449584) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one
PubChem CID137449584
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(-c2cccc(C(C)(C)O)n2)c1=O
InChIInChI=1S/C14H17N3O2/c1-14(2,19)11-7-4-8-12(16-11)17-9-5-6-10(15-3)13(17)18/h4-9,15,19H,1-3H3
InChIKeyGLEMDWSDZZCEPN-UHFFFAOYSA-N
XLogP1.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one (CID 137449584) is 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one is CNc1cccn(-c2cccc(C(C)(C)O)n2)c1=O.
What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one?
The InChIKey is GLEMDWSDZZCEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,19)11-7-4-8-12(16-11)17-9-5-6-10(15-3)13(17)18/h4-9,15,19H,1-3H3.
What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one?
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).