3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide

C11H15N3O3S — CID 104741112

IUPAC3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15N3O3S/c12-9-2-1-5-13-10(9)11(15)14-8-3-6-18(16,17)7-4-8/h1-2,5,8H,3-4,6-7,12H2,(H,14,15)
InChIKeyHWFXQKRHULVGHV-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.03
Rot. Bonds2

About 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide

3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide (PubChem CID 104741112) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
PubChem CID104741112
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H15N3O3S/c12-9-2-1-5-13-10(9)11(15)14-8-3-6-18(16,17)7-4-8/h1-2,5,8H,3-4,6-7,12H2,(H,14,15)
InChIKeyHWFXQKRHULVGHV-UHFFFAOYSA-N
XLogP-0.03
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 113447750
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrazole-3-carboxamide
CID 65358133
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62169938
3-amino-N-(2-tert-butylcyclohexyl)pyridine-2-carboxamide
CID 104741168
3-amino-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 113447702
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107221728

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide (CID 104741112) is 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide is Nc1cccnc1C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide?
The InChIKey is HWFXQKRHULVGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-9-2-1-5-13-10(9)11(15)14-8-3-6-18(16,17)7-4-8/h1-2,5,8H,3-4,6-7,12H2,(H,14,15).
What are the key properties of 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide?
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104741112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).