N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide

C14H19N3O5S2 — CID 109193031

IUPACN-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H19N3O5S2/c18-14(17-12-4-6-24(21,22)9-12)13-2-1-10(7-15-13)16-11-3-5-23(19,20)8-11/h1-2,7,11-12,16H,3-6,8-9H2,(H,17,18)
InChIKeyRTTDQCFOOBPETF-UHFFFAOYSA-N
MW373.46 g/mol
LogP-0.40
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (PubChem CID 109193031) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
PubChem CID109193031
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C14H19N3O5S2/c18-14(17-12-4-6-24(21,22)9-12)13-2-1-10(7-15-13)16-11-3-5-23(19,20)8-11/h1-2,7,11-12,16H,3-6,8-9H2,(H,17,18)
InChIKeyRTTDQCFOOBPETF-UHFFFAOYSA-N
XLogP-0.40
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641420
5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
CID 109193128
N-(1,1-dioxothiolan-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191320
N-(1,1-dioxothiolan-3-yl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109193090
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (CID 109193031) is N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is RTTDQCFOOBPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c18-14(17-12-4-6-24(21,22)9-12)13-2-1-10(7-15-13)16-11-3-5-23(19,20)8-11/h1-2,7,11-12,16H,3-6,8-9H2,(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109193031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).