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

C17H16N4O3S — CID 109237328

IUPACN-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C17H16N4O3S/c18-8-12-2-1-3-14(6-12)21-17(22)13-7-16(10-19-9-13)20-15-4-5-25(23,24)11-15/h1-3,6-7,9-10,15,20H,4-5,11H2,(H,21,22)
InChIKeyUOOVPJGYCNQYBO-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.80
Rot. Bonds4

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

N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109237328) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109237328
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C17H16N4O3S/c18-8-12-2-1-3-14(6-12)21-17(22)13-7-16(10-19-9-13)20-15-4-5-25(23,24)11-15/h1-3,6-7,9-10,15,20H,4-5,11H2,(H,21,22)
InChIKeyUOOVPJGYCNQYBO-UHFFFAOYSA-N
XLogP1.80
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237272
N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidine-4-carboxamide
CID 109331355
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
4-N-(3-cyanophenyl)-1-N-(1,1-dioxothiolan-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149252
N-(4-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226990
N-(3-cyanophenyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzamide
CID 42363140
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106519
N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237296
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109237328) is N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is UOOVPJGYCNQYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-8-12-2-1-3-14(6-12)21-17(22)13-7-16(10-19-9-13)20-15-4-5-25(23,24)11-15/h1-3,6-7,9-10,15,20H,4-5,11H2,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).