N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

C17H18FN3O3S — CID 109233676

IUPACN-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O3S/c18-14-3-1-12(2-4-14)8-20-16-7-13(9-19-10-16)17(22)21-15-5-6-25(23,24)11-15/h1-4,7,9-10,15,20H,5-6,8,11H2,(H,21,22)
InChIKeyVSWLYCNYTYRSEN-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.75
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109233676) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109233676
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cncc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O3S/c18-14-3-1-12(2-4-14)8-20-16-7-13(9-19-10-16)17(22)21-15-5-6-25(23,24)11-15/h1-4,7,9-10,15,20H,5-6,8,11H2,(H,21,22)
InChIKeyVSWLYCNYTYRSEN-UHFFFAOYSA-N
XLogP1.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.75
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-(1,1-dioxothiolan-3-yl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237163
N-(1,1-dioxothiolan-3-yl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224965
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259247
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
methyl 4-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109237228
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124989566
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 42581083
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097820
5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233566

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109233676) is N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cncc(NCc2ccc(F)cc2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is VSWLYCNYTYRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-14-3-1-12(2-4-14)8-20-16-7-13(9-19-10-16)17(22)21-15-5-6-25(23,24)11-15/h1-4,7,9-10,15,20H,5-6,8,11H2,(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.75, 5 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-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109233676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).