5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C19H20F3N3OS — CID 122462271

IUPAC5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCSc1cc(C2CC2)cnc1C(=O)Nc1cc(C(F)(F)F)ccc1NC
InChIInChI=1S/C19H20F3N3OS/c1-3-27-16-8-12(11-4-5-11)10-24-17(16)18(26)25-15-9-13(19(20,21)22)6-7-14(15)23-2/h6-11,23H,3-5H2,1-2H3,(H,25,26)
InChIKeyFBQDPOSTZNLOSA-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.38
Rot. Bonds6

About 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 122462271) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID122462271
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCSc1cc(C2CC2)cnc1C(=O)Nc1cc(C(F)(F)F)ccc1NC
InChIInChI=1S/C19H20F3N3OS/c1-3-27-16-8-12(11-4-5-11)10-24-17(16)18(26)25-15-9-13(19(20,21)22)6-7-14(15)23-2/h6-11,23H,3-5H2,1-2H3,(H,25,26)
InChIKeyFBQDPOSTZNLOSA-UHFFFAOYSA-N
XLogP5.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(6R)-8-amino-6-methyl-4,4-dioxo-4lambda6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 71531970
N-[3-[(5R,6R)-8-amino-5-fluoro-6-methyl-4,4-dioxo-4lambda6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-fluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 117869711
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-butylpyridine-2-carboxamide
CID 59250402
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374760
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-thiazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 60171591
N-[3-[(5S)-3-amino-2,5-dimethyl-6,7-dihydro-2H-1,4-thiazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 60171594
N-[3-[(5S,6R)-8-amino-5-fluoro-6-methyl-4,4-dioxo-4lambda6-thia-7-azaspiro[2.5]oct-7-en-6-yl]-4-fluorophenyl]-5-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 117869570
N-[(4-aminophenyl)methyl]-3-methylsulfanylpyridine-2-carboxamide
CID 44325944
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[6-(trifluoromethyl)-3-pyridyl]sulfonimidoyl]benzamide
CID 168792228
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(6-methyl-3-pyridyl)sulfonimidoyl]benzamide
CID 168792367
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-isopropyl-3-pyridyl)sulfonimidoyl]benzamide
CID 168792707
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-methyl-3-pyridyl)sulfonimidoyl]benzamide
CID 168792735

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 122462271) is 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCSc1cc(C2CC2)cnc1C(=O)Nc1cc(C(F)(F)F)ccc1NC.
What is the InChIKey of 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is FBQDPOSTZNLOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c1-3-27-16-8-12(11-4-5-11)10-24-17(16)18(26)25-15-9-13(19(20,21)22)6-7-14(15)23-2/h6-11,23H,3-5H2,1-2H3,(H,25,26).
What are the key properties of 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 395.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 122462271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).