2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide

C22H23FN4OS — CID 56963341

IUPAC2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide
SMILESCCSc1nc(N(C)c2cccnc2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H23FN4OS/c1-4-29-22-20(21(28)25-13-16-7-5-8-17(23)12-16)15(2)11-19(26-22)27(3)18-9-6-10-24-14-18/h5-12,14H,4,13H2,1-3H3,(H,25,28)
InChIKeyCPJUNOVSSNBSQZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.73
Rot. Bonds7

About 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide

2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 56963341) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide
PubChem CID56963341
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide
SMILESCCSc1nc(N(C)c2cccnc2)cc(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C22H23FN4OS/c1-4-29-22-20(21(28)25-13-16-7-5-8-17(23)12-16)15(2)11-19(26-22)27(3)18-9-6-10-24-14-18/h5-12,14H,4,13H2,1-3H3,(H,25,28)
InChIKeyCPJUNOVSSNBSQZ-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[benzyl(methyl)amino]-2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methylpyridine-3-carboxamide
CID 67286873
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]-6-(2-methoxyethylamino)-4-methylpyridine-3-carboxamide
CID 67287165
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-8-hydroxy-4-methylquinoline-3-carboxamide
CID 67133504
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-(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-methoxy-6-morpholin-4-ylpyridine-3-carboxamide
CID 67287567
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide
CID 90172953
2-ethylsulfanyl-4-methyl-6-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 67287002

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide (CID 56963341) is 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide is CCSc1nc(N(C)c2cccnc2)cc(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is CPJUNOVSSNBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-4-29-22-20(21(28)25-13-16-7-5-8-17(23)12-16)15(2)11-19(26-22)27(3)18-9-6-10-24-14-18/h5-12,14H,4,13H2,1-3H3,(H,25,28).
What are the key properties of 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide?
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.73, 7 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-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 56963341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).