5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide

C11H15N3O3S — CID 54917004

IUPAC5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H15N3O3S/c1-7-10(4-8(12)5-13-7)11(15)14-9-2-3-18(16,17)6-9/h4-5,9H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyDYVOMDIOVWCUQK-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.11
Rot. Bonds2

About 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide

5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide (PubChem CID 54917004) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
PubChem CID54917004
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H15N3O3S/c1-7-10(4-8(12)5-13-7)11(15)14-9-2-3-18(16,17)6-9/h4-5,9H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyDYVOMDIOVWCUQK-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
(1,1-dioxothiolan-3-yl) 5-amino-2-methylpyridine-3-carboxylate
CID 61320542
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
4-amino-N-(1,1-dioxothian-3-yl)-2-methylbenzamide
CID 63924859
N-(1,1-dioxothiolan-3-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691263
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-difluorobenzamide
CID 61090998
N-(1,1-dioxothiolan-3-yl)-5-fluoro-3-methylpyridine-2-carboxamide
CID 146074745
5-amino-N-(1,1-dioxothian-3-yl)-2-fluorobenzamide
CID 63924068
2-amino-N-(1,1-dioxothiolan-3-yl)quinazoline-8-carboxamide
CID 71159487
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62186912

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide (CID 54917004) is 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is DYVOMDIOVWCUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-10(4-8(12)5-13-7)11(15)14-9-2-3-18(16,17)6-9/h4-5,9H,2-3,6,12H2,1H3,(H,14,15).
What are the key properties of 5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide?
5-amino-N-(1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of -0.11, 2 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-3-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 54917004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).