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

C25H27N3O6 — CID 54585590

IUPAC6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2cccc(N(C)C)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C25H27N3O6/c1-16(15-32-4)33-21-10-18(24(29)27-23-9-8-17(14-26-23)25(30)31)11-22(13-21)34-20-7-5-6-19(12-20)28(2)3/h5-14,16H,15H2,1-4H3,(H,30,31)(H,26,27,29)/t16-/m0/s1
InChIKeyHJUNGMOWPIALNY-INIZCTEOSA-N
MW465.51 g/mol
LogP4.30
Rot. Bonds10

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

6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 54585590) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID54585590
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2cccc(N(C)C)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C25H27N3O6/c1-16(15-32-4)33-21-10-18(24(29)27-23-9-8-17(14-26-23)25(30)31)11-22(13-21)34-20-7-5-6-19(12-20)28(2)3/h5-14,16H,15H2,1-4H3,(H,30,31)(H,26,27,29)/t16-/m0/s1
InChIKeyHJUNGMOWPIALNY-INIZCTEOSA-N
XLogP4.30
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[3-[3-(dimethylamino)phenoxy]-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
(S)-6-(3-(3,5-difluorophenoxy)-5-(1-methoxypropan-2-yloxy)benzamido)nicotinic acid
CID 11751490
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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 54585590) is 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is COC[C@H](C)Oc1cc(Oc2cccc(N(C)C)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HJUNGMOWPIALNY-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-16(15-32-4)33-21-10-18(24(29)27-23-9-8-17(14-26-23)25(30)31)11-22(13-21)34-20-7-5-6-19(12-20)28(2)3/h5-14,16H,15H2,1-4H3,(H,30,31)(H,26,27,29)/t16-/m0/s1.
What are the key properties of 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 465.51 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-(dimethylamino)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 54585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).