2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C12H17N3O4S — CID 62817058

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cn2cc(N)ccc2=O)CCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O4S/c1-12(4-5-20(18,19)8-12)14-10(16)7-15-6-9(13)2-3-11(15)17/h2-3,6H,4-5,7-8,13H2,1H3,(H,14,16)
InChIKeyHEFJBFNXERUFRQ-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.88
Rot. Bonds3

About 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 62817058) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID62817058
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cn2cc(N)ccc2=O)CCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O4S/c1-12(4-5-20(18,19)8-12)14-10(16)7-15-6-9(13)2-3-11(15)17/h2-3,6H,4-5,7-8,13H2,1H3,(H,14,16)
InChIKeyHEFJBFNXERUFRQ-UHFFFAOYSA-N
XLogP-0.88
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-2-oxo-1-pyridinyl)-N-(1-methylcyclohexyl)acetamide
CID 62814628
2-(5-amino-2-oxo-1-pyridinyl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822182
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-aminobenzoate
CID 7780940
2-(5-amino-2-oxo-1-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]acetamide
CID 114099011
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 8536612
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114628271
2-(5-amino-2-oxo-1-pyridinyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 106296688
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 114419500
1-[4-(4-aminophenyl)phenyl]-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 43828014
2-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34274909
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16531555

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 62817058) is 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)Cn2cc(N)ccc2=O)CCS(=O)(=O)C1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HEFJBFNXERUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-12(4-5-20(18,19)8-12)14-10(16)7-15-6-9(13)2-3-11(15)17/h2-3,6H,4-5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 299.35 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 62817058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).