6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

C23H20F2N2O6 — CID 11751490

IUPAC6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C23H20F2N2O6/c1-13(12-31-2)32-18-5-15(22(28)27-21-4-3-14(11-26-21)23(29)30)6-19(10-18)33-20-8-16(24)7-17(25)9-20/h3-11,13H,12H2,1-2H3,(H,29,30)(H,26,27,28)/t13-/m0/s1
InChIKeyONHAZCJPHPIFHW-ZDUSSCGKSA-N
MW458.42 g/mol
LogP4.52
Rot. Bonds9

About 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11751490) has the molecular formula C23H20F2N2O6 and a molecular weight of 458.42 g/mol. Its IUPAC name is 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11751490
Molecular FormulaC23H20F2N2O6
Molecular Weight458.42 g/mol
Exact Mass458.13
IUPAC Name6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C23H20F2N2O6/c1-13(12-31-2)32-18-5-15(22(28)27-21-4-3-14(11-26-21)23(29)30)6-19(10-18)33-20-8-16(24)7-17(25)9-20/h3-11,13H,12H2,1-2H3,(H,29,30)(H,26,27,28)/t13-/m0/s1
InChIKeyONHAZCJPHPIFHW-ZDUSSCGKSA-N
XLogP4.52
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Gka-50
CID 11340230
6-[(3-Isobutoxy-5-isopropoxybenzoyl)amino]nicotinic acid
CID 10044792
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
6-(3-Isopropoxy-5-(2-(3-thienyl)ethoxy)benzamido)nicotinic acid
CID 9954194
6-(3,5-Bis-benzyloxy-benzoylamino)-nicotinic acid
CID 10161315
6-(3-Isopropoxy-5-phenoxybenzamido)nicotinic acid
CID 11188508
(S)-6-(3-(1-methoxypropan-2-yloxy)-5-phenoxybenzamido)nicotinic acid
CID 11235541
(S)-6-(3-(3-fluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11270610
6-(3-((S)-1-methoxypropan-2-yloxy)-5-((R)-2-phenylpropoxy)benzamido)nicotinic acid
CID 11294219
6-(3-((S)-1-(5-chlorofuran-2-yl)propan-2-yloxy)-5-((S)-1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11340776
6-(3-((S)-1-(4-fluorophenyl)propan-2-yloxy)-5-((S)-1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11363673

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11751490) is 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is COC[C@H](C)Oc1cc(Oc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ONHAZCJPHPIFHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H20F2N2O6/c1-13(12-31-2)32-18-5-15(22(28)27-21-4-3-14(11-26-21)23(29)30)6-19(10-18)33-20-8-16(24)7-17(25)9-20/h3-11,13H,12H2,1-2H3,(H,29,30)(H,26,27,28)/t13-/m0/s1.
What are the key properties of 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 458.42 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,5-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11751490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).