6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide

C18H19F3N4O4S — CID 146301674

IUPAC6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H19F3N4O4S/c19-13-6-11(7-14(20)16(13)21)24-18(27)9-5-15(17(22)23-8-9)30(28,29)25-10-1-3-12(26)4-2-10/h5-8,10,12,25-26H,1-4H2,(H2,22,23)(H,24,27)
InChIKeyAHASNGATMZRVDK-UHFFFAOYSA-N
MW444.44 g/mol
LogP1.92
Rot. Bonds5

About 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide

6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 146301674) has the molecular formula C18H19F3N4O4S and a molecular weight of 444.44 g/mol. Its IUPAC name is 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
PubChem CID146301674
Molecular FormulaC18H19F3N4O4S
Molecular Weight444.44 g/mol
Exact Mass444.11
IUPAC Name6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H19F3N4O4S/c19-13-6-11(7-14(20)16(13)21)24-18(27)9-5-15(17(22)23-8-9)30(28,29)25-10-1-3-12(26)4-2-10/h5-8,10,12,25-26H,1-4H2,(H2,22,23)(H,24,27)
InChIKeyAHASNGATMZRVDK-UHFFFAOYSA-N
XLogP1.92
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 146301249
2-amino-N-(4-hydroxycyclohexyl)pyridine-3-sulfonamide
CID 62150570
[(1S,2S)-2-[[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylamino]cyclopentyl]carbamic acid
CID 146301482
2-(4-hydroxycyclohexyl)sulfanyl-N-(3,4,5-trifluorophenyl)pyridine-4-carboxamide
CID 121370730
3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
CID 104654330
2-(4-hydroxycyclohexyl)-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide
CID 146301381
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78865460
6-amino-5-chloro-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62155376
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
[1-[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylpyrrolidin-3-yl]carbamic acid
CID 146301441
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62813648

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide (CID 146301674) is 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide is Nc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is AHASNGATMZRVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O4S/c19-13-6-11(7-14(20)16(13)21)24-18(27)9-5-15(17(22)23-8-9)30(28,29)25-10-1-3-12(26)4-2-10/h5-8,10,12,25-26H,1-4H2,(H2,22,23)(H,24,27).
What are the key properties of 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 444.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-hydroxycyclohexyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 146301674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).