6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid

C24H21FN2O5 — CID 71556639

IUPAC6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(OCc3cccc(F)c3)ccc2OCC2CC2)nc1
InChIInChI=1S/C24H21FN2O5/c25-18-3-1-2-16(10-18)14-31-19-7-8-21(32-13-15-4-5-15)20(11-19)23(28)27-22-9-6-17(12-26-22)24(29)30/h1-3,6-12,15H,4-5,13-14H2,(H,29,30)(H,26,27,28)
InChIKeyGHIHWIXMPYVLQM-UHFFFAOYSA-N
MW436.44 g/mol
LogP4.54
Rot. Bonds9

About 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid

6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 71556639) has the molecular formula C24H21FN2O5 and a molecular weight of 436.44 g/mol. Its IUPAC name is 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID71556639
Molecular FormulaC24H21FN2O5
Molecular Weight436.44 g/mol
Exact Mass436.14
IUPAC Name6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(OCc3cccc(F)c3)ccc2OCC2CC2)nc1
InChIInChI=1S/C24H21FN2O5/c25-18-3-1-2-16(10-18)14-31-19-7-8-21(32-13-15-4-5-15)20(11-19)23(28)27-22-9-6-17(12-26-22)24(29)30/h1-3,6-12,15H,4-5,13-14H2,(H,29,30)(H,26,27,28)
InChIKeyGHIHWIXMPYVLQM-UHFFFAOYSA-N
XLogP4.54
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
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
5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
CID 141216527
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
CID 141216459
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide
CID 141216489
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
6-[(2-fluoro-4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 102881937
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid (CID 71556639) is 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cc(OCc3cccc(F)c3)ccc2OCC2CC2)nc1.
What is the InChIKey of 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GHIHWIXMPYVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5/c25-18-3-1-2-16(10-18)14-31-19-7-8-21(32-13-15-4-5-15)20(11-19)23(28)27-22-9-6-17(12-26-22)24(29)30/h1-3,6-12,15H,4-5,13-14H2,(H,29,30)(H,26,27,28).
What are the key properties of 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 436.44 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 71556639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).