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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Related Compounds

3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one
CID 118155205
3-(methylamino)-1-(2-methyl-3-pyridinyl)pyridin-2-one
CID 139373468
3-(methylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 139373498
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-3-one
CID 151178724
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
CID 170257240
N-[(2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide
CID 177200182
benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
CID 140747518
6-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 155437518
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(6-methyl-2-pyridinyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457553
8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 166979572
2-chloro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 170327217
2-ethyl-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-sulfanylidene-7H-pyrazolo[3,4-d]pyrimidin-3-one
CID 138537161

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).