5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide

C11H15N3O3S — CID 81316604

IUPAC5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCC2CCCS2(=O)=O)nc1
InChIInChI=1S/C11H15N3O3S/c12-8-3-4-10(13-6-8)11(15)14-7-9-2-1-5-18(9,16)17/h3-4,6,9H,1-2,5,7,12H2,(H,14,15)
InChIKeyALZRFYYGCBAEFJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.03
Rot. Bonds3

About 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide

5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 81316604) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
PubChem CID81316604
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
SMILESNc1ccc(C(=O)NCC2CCCS2(=O)=O)nc1
InChIInChI=1S/C11H15N3O3S/c12-8-3-4-10(13-6-8)11(15)14-7-9-2-1-5-18(9,16)17/h3-4,6,9H,1-2,5,7,12H2,(H,14,15)
InChIKeyALZRFYYGCBAEFJ-UHFFFAOYSA-N
XLogP-0.03
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-5-[(E)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 81042571
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81040301
5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 107258047
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-4-carboxamide
CID 81039827
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 81042497
5-[(1,1-dioxothiolan-2-yl)methylamino]pyridine-2-carboxylic acid
CID 113321675
4-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81038480
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-2,6-difluorobenzamide
CID 81041559

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide (CID 81316604) is 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide is Nc1ccc(C(=O)NCC2CCCS2(=O)=O)nc1.
What is the InChIKey of 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ALZRFYYGCBAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-8-3-4-10(13-6-8)11(15)14-7-9-2-1-5-18(9,16)17/h3-4,6,9H,1-2,5,7,12H2,(H,14,15).
What are the key properties of 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 81316604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).