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

C12H17N3O3S — CID 63918472

IUPACN-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O3S/c1-13-11-10(5-2-6-14-11)12(16)15-9-4-3-7-19(17,18)8-9/h2,5-6,9H,3-4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyUQECAEIVINMKKN-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.43
Rot. Bonds3

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

N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 63918472) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID63918472
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H17N3O3S/c1-13-11-10(5-2-6-14-11)12(16)15-9-4-3-7-19(17,18)8-9/h2,5-6,9H,3-4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyUQECAEIVINMKKN-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

2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
5-chloro-N-(1,1-dioxothian-3-yl)-2-(methylamino)benzamide
CID 63917316
5-chloro-N-[(3S)-1,1-dioxothian-3-yl]quinoline-8-carboxamide
CID 96547534
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63922804
N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62169938
N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615050
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
2-amino-N-(1,1-dioxothian-3-yl)-3-fluorobenzamide
CID 63917121
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzamide
CID 65309683
N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-2-methylbenzamide
CID 96547544
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide (CID 63918472) is N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is UQECAEIVINMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-13-11-10(5-2-6-14-11)12(16)15-9-4-3-7-19(17,18)8-9/h2,5-6,9H,3-4,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide?
N-(1,1-dioxothian-3-yl)-2-(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-3-yl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63918472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).