4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C17H16F3N3O3S — CID 109214973

IUPAC4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)11-2-1-3-12(8-11)23-16(24)15-9-13(4-6-21-15)22-14-5-7-27(25,26)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,21,22)(H,23,24)
InChIKeyLEBZJJVAKGGURX-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.95
Rot. Bonds4

About 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109214973) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109214973
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)11-2-1-3-12(8-11)23-16(24)15-9-13(4-6-21-15)22-14-5-7-27(25,26)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,21,22)(H,23,24)
InChIKeyLEBZJJVAKGGURX-UHFFFAOYSA-N
XLogP2.95
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
3-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109026520
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109214970
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 21008479

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109214973) is 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(NC2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is LEBZJJVAKGGURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)11-2-1-3-12(8-11)23-16(24)15-9-13(4-6-21-15)22-14-5-7-27(25,26)10-14/h1-4,6,8-9,14H,5,7,10H2,(H,21,22)(H,23,24).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).