1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide

C19H24FN3O4S — CID 143564129

IUPAC1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
SMILESCc1ccc(Nc2cc(=O)n(C)cc2NS(=O)C2(CC(O)CO)CC2)c(F)c1
InChIInChI=1S/C19H24FN3O4S/c1-12-3-4-15(14(20)7-12)21-16-8-18(26)23(2)10-17(16)22-28(27)19(5-6-19)9-13(25)11-24/h3-4,7-8,10,13,21-22,24-25H,5-6,9,11H2,1-2H3
InChIKeyWTBFEPLVLQLBLK-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.93
Rot. Bonds8

About 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide

1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide (PubChem CID 143564129) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
PubChem CID143564129
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC Name1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
SMILESCc1ccc(Nc2cc(=O)n(C)cc2NS(=O)C2(CC(O)CO)CC2)c(F)c1
InChIInChI=1S/C19H24FN3O4S/c1-12-3-4-15(14(20)7-12)21-16-8-18(26)23(2)10-17(16)22-28(27)19(5-6-19)9-13(25)11-24/h3-4,7-8,10,13,21-22,24-25H,5-6,9,11H2,1-2H3
InChIKeyWTBFEPLVLQLBLK-UHFFFAOYSA-N
XLogP1.93
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,3-dihydroxypropylamino)sulfanylamino]-4-(2-fluoro-4-methylanilino)-1-methylpyridin-2-one;ethane
CID 143564185
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
CID 91057852
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 142980506
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
1-butyl-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91522702
ethane;formaldehyde;3-[1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)anilino]cyclopropyl]propane-1,2-diol
CID 143399866
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 71163488
1-(2,3-dihydroxypropyl)-N-[7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-sulfonamide
CID 123608106
3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 143711364
N-[4,5-difluoro-6-(2-fluoro-4-methylanilino)-1,3-benzoxazol-7-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 123903956
3-[1-[[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyanilino]-methylphosphanyl]oxycyclopropyl]propane-1,2-diol
CID 143399835

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The IUPAC name of 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide (CID 143564129) is 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide is Cc1ccc(Nc2cc(=O)n(C)cc2NS(=O)C2(CC(O)CO)CC2)c(F)c1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
The InChIKey is WTBFEPLVLQLBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-12-3-4-15(14(20)7-12)21-16-8-18(26)23(2)10-17(16)22-28(27)19(5-6-19)9-13(25)11-24/h3-4,7-8,10,13,21-22,24-25H,5-6,9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide?
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide has a molecular weight of 409.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide is sourced from PubChem (CID 143564129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).