N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide

C18H21N3O3S — CID 109237184

IUPACN-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21N3O3S/c1-2-13-5-3-4-6-17(13)20-16-9-14(10-19-11-16)18(22)21-15-7-8-25(23,24)12-15/h3-6,9-11,15,20H,2,7-8,12H2,1H3,(H,21,22)
InChIKeyDFAJSZJICTZVSY-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.30
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide (PubChem CID 109237184) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
PubChem CID109237184
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C18H21N3O3S/c1-2-13-5-3-4-6-17(13)20-16-9-14(10-19-11-16)18(22)21-15-7-8-25(23,24)12-15/h3-6,9-11,15,20H,2,7-8,12H2,1H3,(H,21,22)
InChIKeyDFAJSZJICTZVSY-UHFFFAOYSA-N
XLogP2.30
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
CID 109173265
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
methyl 4-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109237228
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-6-(2-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109372466
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232371
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109237215
5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109101623
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide (CID 109237184) is N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide is CCc1ccccc1Nc1cncc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The InChIKey is DFAJSZJICTZVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-2-13-5-3-4-6-17(13)20-16-9-14(10-19-11-16)18(22)21-15-7-8-25(23,24)12-15/h3-6,9-11,15,20H,2,7-8,12H2,1H3,(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109237184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).