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

C11H15N3O3S — CID 81040301

IUPAC4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NCC2CCCS2(=O)=O)c1
InChIInChI=1S/C11H15N3O3S/c12-8-3-4-13-10(6-8)11(15)14-7-9-2-1-5-18(9,16)17/h3-4,6,9H,1-2,5,7H2,(H2,12,13)(H,14,15)
InChIKeyFPCWRMHDBYPSAS-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.03
Rot. Bonds3

About 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide

4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 81040301) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
PubChem CID81040301
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NCC2CCCS2(=O)=O)c1
InChIInChI=1S/C11H15N3O3S/c12-8-3-4-13-10(6-8)11(15)14-7-9-2-1-5-18(9,16)17/h3-4,6,9H,1-2,5,7H2,(H2,12,13)(H,14,15)
InChIKeyFPCWRMHDBYPSAS-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

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Related Compounds

5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide
CID 81316604
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-4-carboxamide
CID 81039827
N-[(1,1-dioxothiolan-2-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 81041211
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 81042497
5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 107258047
1-(3-aminophenyl)-3-[(1,1-dioxothiolan-2-yl)methyl]urea
CID 81039941
4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 81040809
N-[(1,1-dioxothiolan-2-yl)methyl]-5-[(E)-N'-hydroxycarbamimidoyl]pyridine-2-carboxamide
CID 81042571
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-5-fluorobenzamide
CID 81041232
3-amino-4-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81041972
ethyl 4-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698164
4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81042446

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide (CID 81040301) is 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide is Nc1ccnc(C(=O)NCC2CCCS2(=O)=O)c1.
What is the InChIKey of 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FPCWRMHDBYPSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-8-3-4-13-10(6-8)11(15)14-7-9-2-1-5-18(9,16)17/h3-4,6,9H,1-2,5,7H2,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide?
4-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 4-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 81040301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).