N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

C18H17FN2O3S — CID 22574394

IUPACN-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1c(CO)sc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c12
InChIInChI=1S/C18H17FN2O3S/c1-10-14(9-22)25-17-15(10)21(2)8-13(16(17)23)18(24)20-7-11-3-5-12(19)6-4-11/h3-6,8,22H,7,9H2,1-2H3,(H,20,24)
InChIKeyIOEOWDWZZIRNIA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.47
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 22574394) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID22574394
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1c(CO)sc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c12
InChIInChI=1S/C18H17FN2O3S/c1-10-14(9-22)25-17-15(10)21(2)8-13(16(17)23)18(24)20-7-11-3-5-12(19)6-4-11/h3-6,8,22H,7,9H2,1-2H3,(H,20,24)
InChIKeyIOEOWDWZZIRNIA-UHFFFAOYSA-N
XLogP2.47
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574310
2-[[[2-(4-acetamidophenyl)-2-hydroxyethyl]-methylamino]methyl]-N-[(4-fluorophenyl)methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 10218342
N-[(4-chlorophenyl)methyl]-2-[[2-hydroxypropyl(methyl)amino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574422
N-[(4-chlorophenyl)methyl]-3,4-dimethyl-2-[[methyl-[(1S)-1-(2-oxopyrrolidin-3-yl)ethyl]amino]methyl]-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 90836479
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-3-phenylpropyl)-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574398
N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 10311302
2-[[[2-(4-acetamidophenyl)-2-hydroxyethyl]-methylamino]methyl]-N-[(4-chlorophenyl)methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 10218486
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568357
2,3-dimethyl-N-[(4-methylphenyl)methyl]-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide;ethane
CID 91001754
3-(azidomethyl)-N-[(4-chlorophenyl)methyl]-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574304
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-2-[[(2-hydroxy-2-quinolin-2-ylethyl)-methylamino]methyl]-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574421
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyrazin-2-ylethyl)-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;2-methoxyethyl(trimethyl)-λ4-sulfane
CID 142265590

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide (CID 22574394) is N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide is Cc1c(CO)sc2c(=O)c(C(=O)NCc3ccc(F)cc3)cn(C)c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is IOEOWDWZZIRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-10-14(9-22)25-17-15(10)21(2)8-13(16(17)23)18(24)20-7-11-3-5-12(19)6-4-11/h3-6,8,22H,7,9H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 22574394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).