2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide

C17H16FN3O4S — CID 109088375

IUPAC2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16FN3O4S/c18-12-2-1-3-13(9-12)20-16(22)11-4-6-19-15(8-11)17(23)21-14-5-7-26(24,25)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,20,22)(H,21,23)
InChIKeyUJZRAVWZLDBKMM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.39
Rot. Bonds4

About 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide

2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109088375) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109088375
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16FN3O4S/c18-12-2-1-3-13(9-12)20-16(22)11-4-6-19-15(8-11)17(23)21-14-5-7-26(24,25)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,20,22)(H,21,23)
InChIKeyUJZRAVWZLDBKMM-UHFFFAOYSA-N
XLogP1.39
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088380
2-[(1,1-dioxothiolan-3-yl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109260918
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124970015
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088358
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide (CID 109088375) is 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide is O=C(Nc1cccc(F)c1)c1ccnc(C(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is UJZRAVWZLDBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c18-12-2-1-3-13(9-12)20-16(22)11-4-6-19-15(8-11)17(23)21-14-5-7-26(24,25)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,20,22)(H,21,23).
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide?
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).