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

C20H24FN3O2S — CID 56962762

IUPAC2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2S/c1-3-27-20-18(19(25)22-13-15-4-6-16(21)7-5-15)14(2)12-17(23-20)24-8-10-26-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,25)
InChIKeyJUFKHOKLZPGNNQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.41
Rot. Bonds6

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

2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 56962762) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID56962762
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2S/c1-3-27-20-18(19(25)22-13-15-4-6-16(21)7-5-15)14(2)12-17(23-20)24-8-10-26-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,25)
InChIKeyJUFKHOKLZPGNNQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 56962762) is 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is JUFKHOKLZPGNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-3-27-20-18(19(25)22-13-15-4-6-16(21)7-5-15)14(2)12-17(23-20)24-8-10-26-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-ethylsulfanyl-N-[(4-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-[(4-fluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 56962762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).