N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide

C12H17N3O3S — CID 62169779

IUPACN-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NC2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H17N3O3S/c1-13-11-3-2-9(8-14-11)12(16)15-10-4-6-19(17,18)7-5-10/h2-3,8,10H,4-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyCGBAUGNBVGAUOX-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.43
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide

N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 62169779) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID62169779
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)NC2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H17N3O3S/c1-13-11-3-2-9(8-14-11)12(16)15-10-4-6-19(17,18)7-5-10/h2-3,8,10H,4-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyCGBAUGNBVGAUOX-UHFFFAOYSA-N
XLogP0.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylamino)-N-(3-methylcyclohexyl)pyridine-3-carboxamide
CID 62168135
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156112
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide (CID 62169779) is N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide is CNc1ccc(C(=O)NC2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is CGBAUGNBVGAUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-11-3-2-9(8-14-11)12(16)15-10-4-6-19(17,18)7-5-10/h2-3,8,10H,4-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide?
N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62169779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).