4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide

C16H16FN3O4S — CID 118612918

IUPAC4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(OC2CCS(=O)(=O)C2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C16H16FN3O4S/c1-10-6-13(24-12-4-5-25(22,23)9-12)7-14(19-10)16(21)20-15-3-2-11(17)8-18-15/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,21)
InChIKeyUQKDBLZNOSFTAE-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.74
Rot. Bonds4

About 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide

4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 118612918) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID118612918
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC Name4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cc(OC2CCS(=O)(=O)C2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C16H16FN3O4S/c1-10-6-13(24-12-4-5-25(22,23)9-12)7-14(19-10)16(21)20-15-3-2-11(17)8-18-15/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,21)
InChIKeyUQKDBLZNOSFTAE-UHFFFAOYSA-N
XLogP1.74
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71548006
6-methyl-4-(oxolan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612909
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide
CID 118612935
4-cyclobutyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612946
6-methyl-4-(oxetan-3-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612948
6-methyl-4-(oxolan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118612960
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxolan-3-ylmethoxy)pyridine-2-carboxamide
CID 118612962
4-cyclobutyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 118613016
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-3-yloxy)pyridine-2-carboxamide
CID 118613058
6-methyl-4-(oxetan-2-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613060
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 118613068
6-methyl-4-(oxan-3-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
CID 118613088

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide (CID 118612918) is 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1cc(OC2CCS(=O)(=O)C2)cc(C(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is UQKDBLZNOSFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-10-6-13(24-12-4-5-25(22,23)9-12)7-14(19-10)16(21)20-15-3-2-11(17)8-18-15/h2-3,6-8,12H,4-5,9H2,1H3,(H,18,20,21).
What are the key properties of 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide?
4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiolan-3-yl)oxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 118612918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).