5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one

C16H21FN4OS — CID 166475100

IUPAC5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one
SMILESCNC1=C(SCc2ccc(N3CCC(F)C3)nc2)C(=O)NCC1
InChIInChI=1S/C16H21FN4OS/c1-18-13-4-6-19-16(22)15(13)23-10-11-2-3-14(20-8-11)21-7-5-12(17)9-21/h2-3,8,12,18H,4-7,9-10H2,1H3,(H,19,22)
InChIKeyUSBYQQAAEWPJEW-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.81
Rot. Bonds5

About 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one

5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one (PubChem CID 166475100) has the molecular formula C16H21FN4OS and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one
PubChem CID166475100
Molecular FormulaC16H21FN4OS
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC Name5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one
SMILESCNC1=C(SCc2ccc(N3CCC(F)C3)nc2)C(=O)NCC1
InChIInChI=1S/C16H21FN4OS/c1-18-13-4-6-19-16(22)15(13)23-10-11-2-3-14(20-8-11)21-7-5-12(17)9-21/h2-3,8,12,18H,4-7,9-10H2,1H3,(H,19,22)
InChIKeyUSBYQQAAEWPJEW-UHFFFAOYSA-N
XLogP1.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one with MolForge

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Related Compounds

6-[(4-methylpyridin-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5(6H)-one
CID 4915964
3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-{2-oxo-2-[4-(4-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-ethyl}-propionamide
CID 10230030
3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-{2-oxo-2-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-ethyl}-propionamide
CID 44338073
thiazolidin-3-yl((2S,4S)-4-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44439350
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-pyridin-2-ylacetamide
CID 3242521
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(4-methylpyridin-2-yl)acetamide
CID 3244018
N-(5-methyl-2-pyridinyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 9551178
6-(2-(2-Oxo-2-(thiazolidin-3-yl)ethylamino)ethylamino)nicotinonitrile
CID 9907074
2-[(1-Ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-(5-methylpyridin-2-YL)acetamide
CID 16187882
N-(4-methyl-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47070356

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one (CID 166475100) is 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one is CNC1=C(SCc2ccc(N3CCC(F)C3)nc2)C(=O)NCC1.
What is the InChIKey of 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is USBYQQAAEWPJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OS/c1-18-13-4-6-19-16(22)15(13)23-10-11-2-3-14(20-8-11)21-7-5-12(17)9-21/h2-3,8,12,18H,4-7,9-10H2,1H3,(H,19,22).
What are the key properties of 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one?
5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 336.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 166475100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).