2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid

C26H23F2N3O5 — CID 10051467

IUPAC2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C26H23F2N3O5/c27-15-5-11-19(12-6-15)36-25-22(13-16(28)14-29-25)24(33)31-18-9-7-17(8-10-18)30-23(32)20-3-1-2-4-21(20)26(34)35/h1-6,11-14,17-18H,7-10H2,(H,30,32)(H,31,33)(H,34,35)
InChIKeyCZSYIZWKHKCTBR-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.32
Rot. Bonds7

About 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid

2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid (PubChem CID 10051467) has the molecular formula C26H23F2N3O5 and a molecular weight of 495.48 g/mol. Its IUPAC name is 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid
PubChem CID10051467
Molecular FormulaC26H23F2N3O5
Molecular Weight495.48 g/mol
Exact Mass495.16
IUPAC Name2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C26H23F2N3O5/c27-15-5-11-19(12-6-15)36-25-22(13-16(28)14-29-25)24(33)31-18-9-7-17(8-10-18)30-23(32)20-3-1-2-4-21(20)26(34)35/h1-6,11-14,17-18H,7-10H2,(H,30,32)(H,31,33)(H,34,35)
InChIKeyCZSYIZWKHKCTBR-UHFFFAOYSA-N
XLogP4.32
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid (CID 10051467) is 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid?
The InChIKey is CZSYIZWKHKCTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O5/c27-15-5-11-19(12-6-15)36-25-22(13-16(28)14-29-25)24(33)31-18-9-7-17(8-10-18)30-23(32)20-3-1-2-4-21(20)26(34)35/h1-6,11-14,17-18H,7-10H2,(H,30,32)(H,31,33)(H,34,35).
What are the key properties of 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid?
2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid has a molecular weight of 495.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamoyl]benzoic acid is sourced from PubChem (CID 10051467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).