tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate

C25H31F2N3O4S — CID 142991783

IUPACtert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate
SMILESCSc1cc(Oc2ncc(F)cc2C(=O)NCC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1F
InChIInChI=1S/C25H31F2N3O4S/c1-25(2,3)34-24(32)30-17-7-5-15(6-8-17)13-28-22(31)19-11-16(26)14-29-23(19)33-18-9-10-20(27)21(12-18)35-4/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,28,31)(H,30,32)
InChIKeyGVZGNALAQQTBMG-UHFFFAOYSA-N
MW507.60 g/mol
LogP5.69
Rot. Bonds7

About tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate

tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate (PubChem CID 142991783) has the molecular formula C25H31F2N3O4S and a molecular weight of 507.60 g/mol. Its IUPAC name is tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate
PubChem CID142991783
Molecular FormulaC25H31F2N3O4S
Molecular Weight507.60 g/mol
Exact Mass507.20
IUPAC Nametert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate
SMILESCSc1cc(Oc2ncc(F)cc2C(=O)NCC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1F
InChIInChI=1S/C25H31F2N3O4S/c1-25(2,3)34-24(32)30-17-7-5-15(6-8-17)13-28-22(31)19-11-16(26)14-29-23(19)33-18-9-10-20(27)21(12-18)35-4/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,28,31)(H,30,32)
InChIKeyGVZGNALAQQTBMG-UHFFFAOYSA-N
XLogP5.69
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[(2-chloro-5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]carbamate
CID 142991989
5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]cyclohexyl]pyridine-3-carboxamide
CID 59986452
[(Z)-but-2-en-2-yl] N-[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 173299381
2-[4-[3-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]oxy]phenyl]phenyl]ethyl methanesulfonate
CID 87491660
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476
tert-butyl N-[4-[[(3,5-difluoro-4-hydroxybenzoyl)amino]methyl]cyclohexyl]carbamate
CID 175625005
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
CID 158441058
2-cyclopropyl-N-[4-[4-[5-fluoro-2-(3-methylsulfanylphenoxy)-3-pyridinyl]-4-oxobutyl]cyclohexyl]acetamide
CID 142991907
N-[1-(2-acetamidoacetyl)piperidin-4-yl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11328664
tert-butyl N-[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 20872670
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(propanoylamino)cyclohexyl]pyridine-3-carboxamide
CID 159642889

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate (CID 142991783) is tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate is CSc1cc(Oc2ncc(F)cc2C(=O)NCC2CCC(NC(=O)OC(C)(C)C)CC2)ccc1F.
What is the InChIKey of tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
The InChIKey is GVZGNALAQQTBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O4S/c1-25(2,3)34-24(32)30-17-7-5-15(6-8-17)13-28-22(31)19-11-16(26)14-29-23(19)33-18-9-10-20(27)21(12-18)35-4/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,28,31)(H,30,32).
What are the key properties of tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate?
tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate has a molecular weight of 507.60 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[[5-fluoro-2-(4-fluoro-3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 142991783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).