3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one

C12H13ClN4O2 — CID 118155205

IUPAC3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one
SMILESCC(C)(O)c1cnc(-n2cccc(NCl)c2=O)cn1
InChIInChI=1S/C12H13ClN4O2/c1-12(2,19)9-6-15-10(7-14-9)17-5-3-4-8(16-13)11(17)18/h3-7,16,19H,1-2H3
InChIKeyNYFMKNDUKOPLSR-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.42
Rot. Bonds3

About 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one

3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one (PubChem CID 118155205) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one
PubChem CID118155205
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one
SMILESCC(C)(O)c1cnc(-n2cccc(NCl)c2=O)cn1
InChIInChI=1S/C12H13ClN4O2/c1-12(2,19)9-6-15-10(7-14-9)17-5-3-4-8(16-13)11(17)18/h3-7,16,19H,1-2H3
InChIKeyNYFMKNDUKOPLSR-UHFFFAOYSA-N
XLogP1.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-(methylamino)pyridin-2-one
CID 137449584
2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine
CID 118016297
benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
CID 140747518
6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 176909151
3-(ethylamino)-1-pyridin-3-ylpyridin-2-one
CID 137457681
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 172791782
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-(5-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)propan-2-ol
CID 140781022
2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
CID 155384095
bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
CID 158478724
3-(methylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 139373498
3-(methylamino)-1-(2-methyl-3-pyridinyl)pyridin-2-one
CID 139373468

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one?
The IUPAC name of 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one (CID 118155205) is 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one.
What is the SMILES notation for 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one?
The canonical SMILES for 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one is CC(C)(O)c1cnc(-n2cccc(NCl)c2=O)cn1.
What is the InChIKey of 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one?
The InChIKey is NYFMKNDUKOPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-12(2,19)9-6-15-10(7-14-9)17-5-3-4-8(16-13)11(17)18/h3-7,16,19H,1-2H3.
What are the key properties of 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one?
3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one has a molecular weight of 280.72 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]pyridin-2-one is sourced from PubChem (CID 118155205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).