5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid

C23H21FN2O5 — CID 141216527

IUPAC5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C23H21FN2O5/c1-14(2)31-21-7-6-19(30-13-15-4-3-5-17(24)8-15)10-20(21)22(27)26-18-9-16(23(28)29)11-25-12-18/h3-12,14H,13H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOBHGSKILPUFHBQ-UHFFFAOYSA-N
MW424.43 g/mol
LogP4.54
Rot. Bonds8

About 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid

5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 141216527) has the molecular formula C23H21FN2O5 and a molecular weight of 424.43 g/mol. Its IUPAC name is 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID141216527
Molecular FormulaC23H21FN2O5
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Name5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Oc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C23H21FN2O5/c1-14(2)31-21-7-6-19(30-13-15-4-3-5-17(24)8-15)10-20(21)22(27)26-18-9-16(23(28)29)11-25-12-18/h3-12,14H,13H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOBHGSKILPUFHBQ-UHFFFAOYSA-N
XLogP4.54
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 71556639
N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-phenylmethoxy-2-propan-2-yloxybenzamide
CID 86625452
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
6-[[5-[(2,5-difluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
CID 71556776
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
CID 141216459
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide
CID 141216489
5-[(2-fluorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141305036
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid (CID 141216527) is 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid is CC(C)Oc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is OBHGSKILPUFHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O5/c1-14(2)31-21-7-6-19(30-13-15-4-3-5-17(24)8-15)10-20(21)22(27)26-18-9-16(23(28)29)11-25-12-18/h3-12,14H,13H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid?
5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 424.43 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 141216527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).