N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

C18H19FN2O3S — CID 124960685

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Cc2cccc(F)c2)nc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O3S/c1-21(17-7-8-25(23,24)12-17)18(22)14-5-6-16(20-11-14)10-13-3-2-4-15(19)9-13/h2-6,9,11,17H,7-8,10,12H2,1H3/t17-/m0/s1
InChIKeyGWHRBBJLENGKAZ-KRWDZBQOSA-N
MW362.43 g/mol
LogP2.07
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 124960685) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID124960685
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Cc2cccc(F)c2)nc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O3S/c1-21(17-7-8-25(23,24)12-17)18(22)14-5-6-16(20-11-14)10-13-3-2-4-15(19)9-13/h2-6,9,11,17H,7-8,10,12H2,1H3/t17-/m0/s1
InChIKeyGWHRBBJLENGKAZ-KRWDZBQOSA-N
XLogP2.07
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 124985180
5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
CID 47460685
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
2-(benzylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-5-carboxamide
CID 109255397
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157844
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 40643489
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-4-propan-2-yloxybenzamide
CID 40643532
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-4-propoxybenzamide
CID 40643528

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide (CID 124960685) is N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is CN(C(=O)c1ccc(Cc2cccc(F)c2)nc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is GWHRBBJLENGKAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-21(17-7-8-25(23,24)12-17)18(22)14-5-6-16(20-11-14)10-13-3-2-4-15(19)9-13/h2-6,9,11,17H,7-8,10,12H2,1H3/t17-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 124960685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).