2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide

C19H24FN3O2S — CID 67287165

IUPAC2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide
SMILESCCSc1nc(NCCOC)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H24FN3O2S/c1-4-26-19-17(13(2)10-16(23-19)21-8-9-25-3)18(24)22-12-14-6-5-7-15(20)11-14/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMZSIGAGYEUNJDM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.63
Rot. Bonds9

About 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide

2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide (PubChem CID 67287165) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide
PubChem CID67287165
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide
SMILESCCSc1nc(NCCOC)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H24FN3O2S/c1-4-26-19-17(13(2)10-16(23-19)21-8-9-25-3)18(24)22-12-14-6-5-7-15(20)11-14/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyMZSIGAGYEUNJDM-UHFFFAOYSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide 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

6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide
CID 67286873
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(4-methoxypiperidin-1-yl)-4-methylpyridine-3-carboxamide
CID 67287264
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide
CID 56963341
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-8-hydroxy-4-methylquinoline-3-carboxamide
CID 67133504
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 56963428
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxomorpholin-4-yl)pyridine-3-carboxamide
CID 67287229
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-hydroxy-4-methylquinoline-3-carboxamide
CID 67133503
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[(3S)-3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide
CID 56962525
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxamide
CID 67288511
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
CID 67287567
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039451

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide (CID 67287165) is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide is CCSc1nc(NCCOC)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide?
The InChIKey is MZSIGAGYEUNJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-4-26-19-17(13(2)10-16(23-19)21-8-9-25-3)18(24)22-12-14-6-5-7-15(20)11-14/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide?
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 67287165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).