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

C18H21N3O3S — CID 109237272

IUPACN-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H21N3O3S/c1-12-5-13(2)7-16(6-12)21-18(22)14-8-17(10-19-9-14)20-15-3-4-25(23,24)11-15/h5-10,15,20H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyGVACGZBIGPQEHF-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.55
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109237272) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109237272
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H21N3O3S/c1-12-5-13(2)7-16(6-12)21-18(22)14-8-17(10-19-9-14)20-15-3-4-25(23,24)11-15/h5-10,15,20H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyGVACGZBIGPQEHF-UHFFFAOYSA-N
XLogP2.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237296
N-(3,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260872
N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237328
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
5-N-(1,1-dioxothiolan-3-yl)-3-N-methylpyridine-3,5-diamine
CID 104532676
5-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115656925
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236844
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236584
5-N-cycloheptyl-3-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109107035
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109237272) is N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is GVACGZBIGPQEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-5-13(2)7-16(6-12)21-18(22)14-8-17(10-19-9-14)20-15-3-4-25(23,24)11-15/h5-10,15,20H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).