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

C20H24FN3O2S — CID 56952018

IUPAC2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2S/c1-3-27-20-18(19(25)22-13-15-5-4-6-16(21)12-15)14(2)11-17(23-20)24-7-9-26-10-8-24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25)
InChIKeyFHXOMTCQJFBKEF-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.41
Rot. Bonds6

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

2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 56952018) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID56952018
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2S/c1-3-27-20-18(19(25)22-13-15-5-4-6-16(21)12-15)14(2)11-17(23-20)24-7-9-26-10-8-24/h4-6,11-12H,3,7-10,13H2,1-2H3,(H,22,25)
InChIKeyFHXOMTCQJFBKEF-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
2-ethylsulfanyl-N-[(4-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56962762
N-(4,4-dimethylpentyl)-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963081
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-ethylsulfanyl-N-[(3-fluoro-5-methylphenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 71720495
US10975056, Example 510
CID 132232982
US10975056, Example 593
CID 138736405
[2-(4-Fluoro-benzylamino)-pyridin-3-yl]-morpholin-4-yl-methanone
CID 645532
6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 126471590
2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 3519221
2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 7424449

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 56952018) is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is FHXOMTCQJFBKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-3-27-20-18(19(25)22-13-15-5-4-6-16(21)12-15)14(2)11-17(23-20)24-7-9-26-10-8-24/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-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 56952018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).