6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide

C25H34FN3O2 — CID 174451267

IUPAC6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCC(C)CCC(N)(CC1CCCCC1)c1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C25H34FN3O2/c1-17(2)12-13-25(28,15-18-6-4-3-5-7-18)20-9-10-22(21(26)14-20)31-23-11-8-19(16-29-23)24(27)30/h8-11,14,16-18H,3-7,12-13,15,28H2,1-2H3,(H2,27,30)
InChIKeyXXNAYWONGGPMAG-UHFFFAOYSA-N
MW427.56 g/mol
LogP5.67
Rot. Bonds9

About 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide

6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide (PubChem CID 174451267) has the molecular formula C25H34FN3O2 and a molecular weight of 427.56 g/mol. Its IUPAC name is 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide
PubChem CID174451267
Molecular FormulaC25H34FN3O2
Molecular Weight427.56 g/mol
Exact Mass427.26
IUPAC Name6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCC(C)CCC(N)(CC1CCCCC1)c1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C25H34FN3O2/c1-17(2)12-13-25(28,15-18-6-4-3-5-7-18)20-9-10-22(21(26)14-20)31-23-11-8-19(16-29-23)24(27)30/h8-11,14,16-18H,3-7,12-13,15,28H2,1-2H3,(H2,27,30)
InChIKeyXXNAYWONGGPMAG-UHFFFAOYSA-N
XLogP5.67
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.56
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 59730099
6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
CID 68748468
6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174431002
CID 71096910
CID 71096910
6-[4-[(3-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 163472530
6-[5-[(cyclohexylmethylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25119727
6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
CID 157386377
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
CID 161152364
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
6-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]pyridine-3-carboxamide
CID 146325556
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
CID 59730016

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide (CID 174451267) is 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide is CC(C)CCC(N)(CC1CCCCC1)c1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1.
What is the InChIKey of 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide?
The InChIKey is XXNAYWONGGPMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2/c1-17(2)12-13-25(28,15-18-6-4-3-5-7-18)20-9-10-22(21(26)14-20)31-23-11-8-19(16-29-23)24(27)30/h8-11,14,16-18H,3-7,12-13,15,28H2,1-2H3,(H2,27,30).
What are the key properties of 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide?
6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide has a molecular weight of 427.56 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 174451267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).