2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide

C20H24FN3O3S — CID 67287567

IUPAC2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(OC)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H24FN3O3S/c1-3-28-20-18(19(25)22-13-14-5-4-6-15(21)11-14)16(26-2)12-17(23-20)24-7-9-27-10-8-24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25)
InChIKeyAXROVYGZONKTTA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.11
Rot. Bonds7

About 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide

2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67287567) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67287567
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(OC)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H24FN3O3S/c1-3-28-20-18(19(25)22-13-14-5-4-6-15(21)11-14)16(26-2)12-17(23-20)24-7-9-27-10-8-24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25)
InChIKeyAXROVYGZONKTTA-UHFFFAOYSA-N
XLogP3.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(4-methoxypiperidin-1-yl)-4-methylpyridine-3-carboxamide
CID 67287264
2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67287002
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxomorpholin-4-yl)pyridine-3-carboxamide
CID 67287229
N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286889
2-ethylsulfanyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286799
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-[(3S)-3-(hydroxymethyl)morpholin-4-yl]-4-methylpyridine-3-carboxamide
CID 56962525
2-butoxy-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286796
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 56963428
2-ethylsulfanyl-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67289352
2-ethylsulfanyl-N-(2-hydroxy-3-phenylpropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963517
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide
CID 67287165
N-[(3,5-difluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 67286979

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide (CID 67287567) is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide is CCSc1nc(N2CCOCC2)cc(OC)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is AXROVYGZONKTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-3-28-20-18(19(25)22-13-14-5-4-6-15(21)11-14)16(26-2)12-17(23-20)24-7-9-27-10-8-24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25).
What are the key properties of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide?
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methoxy-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67287567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).