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

C13H19N3O3S — CID 63917314

IUPACN-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C13H19N3O3S/c1-2-14-10-5-6-15-12(8-10)13(17)16-11-4-3-7-20(18,19)9-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)(H,16,17)
InChIKeyCMUHEMWTXREDFA-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.82
Rot. Bonds4

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

N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 63917314) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
PubChem CID63917314
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NC2CCCS(=O)(=O)C2)c1
InChIInChI=1S/C13H19N3O3S/c1-2-14-10-5-6-15-12(8-10)13(17)16-11-4-3-7-20(18,19)9-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)(H,16,17)
InChIKeyCMUHEMWTXREDFA-UHFFFAOYSA-N
XLogP0.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211268
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641420
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212055
4-(ethylamino)-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 114120787
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 83039304
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide (CID 63917314) is N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NC2CCCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is CMUHEMWTXREDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-14-10-5-6-15-12(8-10)13(17)16-11-4-3-7-20(18,19)9-11/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide?
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.82, 4 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)-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63917314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).