N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide

C16H16FN3O3S — CID 109214858

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C16H16FN3O3S/c17-13-3-1-2-4-14(13)19-11-5-7-18-15(9-11)16(21)20-12-6-8-24(22,23)10-12/h1-5,7,9,12H,6,8,10H2,(H,18,19)(H,20,21)
InChIKeyLMMFSWADFPYHBY-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.88
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109214858) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
PubChem CID109214858
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(Nc2ccccc2F)ccn1
InChIInChI=1S/C16H16FN3O3S/c17-13-3-1-2-4-14(13)19-11-5-7-18-15(9-11)16(21)20-12-6-8-24(22,23)10-12/h1-5,7,9,12H,6,8,10H2,(H,18,19)(H,20,21)
InChIKeyLMMFSWADFPYHBY-UHFFFAOYSA-N
XLogP1.88
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874
N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211268
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
N-[(3S)-1,1-dioxothiolan-3-yl]-4-pyrimidin-2-ylsulfanylpyridine-2-carboxamide
CID 95741077
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-(2,6-difluorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220720
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212055
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122922

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide (CID 109214858) is N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc(Nc2ccccc2F)ccn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is LMMFSWADFPYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-13-3-1-2-4-14(13)19-11-5-7-18-15(9-11)16(21)20-12-6-8-24(22,23)10-12/h1-5,7,9,12H,6,8,10H2,(H,18,19)(H,20,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.88, 4 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)-4-(2-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109214858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).