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

C17H19N3O3S — CID 109237173

IUPACN-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C17H19N3O3S/c1-12-3-2-4-14(7-12)19-16-8-13(9-18-10-16)17(21)20-15-5-6-24(22,23)11-15/h2-4,7-10,15,19H,5-6,11H2,1H3,(H,20,21)
InChIKeyXZNDVTZJQMASOL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.05
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 109237173) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
PubChem CID109237173
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C17H19N3O3S/c1-12-3-2-4-14(7-12)19-16-8-13(9-18-10-16)17(21)20-15-5-6-24(22,23)11-15/h2-4,7-10,15,19H,5-6,11H2,1H3,(H,20,21)
InChIKeyXZNDVTZJQMASOL-UHFFFAOYSA-N
XLogP2.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232371
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
methyl 4-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109237228
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109237215
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237272

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide (CID 109237173) is N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is XZNDVTZJQMASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-3-2-4-14(7-12)19-16-8-13(9-18-10-16)17(21)20-15-5-6-24(22,23)11-15/h2-4,7-10,15,19H,5-6,11H2,1H3,(H,20,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.05, 4 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-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109237173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).