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

C24H26FN3OS — CID 67286873

IUPAC6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide
SMILESCCSc1nc(N(C)Cc2ccccc2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C24H26FN3OS/c1-4-30-24-22(23(29)26-15-19-11-8-12-20(25)14-19)17(2)13-21(27-24)28(3)16-18-9-6-5-7-10-18/h5-14H,4,15-16H2,1-3H3,(H,26,29)
InChIKeyJBOXJZCYXWMZKX-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.21
Rot. Bonds8

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

6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide (PubChem CID 67286873) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide
PubChem CID67286873
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC Name6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide
SMILESCCSc1nc(N(C)Cc2ccccc2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C24H26FN3OS/c1-4-30-24-22(23(29)26-15-19-11-8-12-20(25)14-19)17(2)13-21(27-24)28(3)16-18-9-6-5-7-10-18/h5-14H,4,15-16H2,1-3H3,(H,26,29)
InChIKeyJBOXJZCYXWMZKX-UHFFFAOYSA-N
XLogP5.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide (CID 67286873) is 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide is CCSc1nc(N(C)Cc2ccccc2)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide?
The InChIKey is JBOXJZCYXWMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c1-4-30-24-22(23(29)26-15-19-11-8-12-20(25)14-19)17(2)13-21(27-24)28(3)16-18-9-6-5-7-10-18/h5-14H,4,15-16H2,1-3H3,(H,26,29).
What are the key properties of 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide?
6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 67286873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).