5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid

C18H17FN2O4 — CID 146137008

IUPAC5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1
InChIInChI=1S/C18H17FN2O4/c19-13-5-6-15(16(8-13)25-14-3-1-2-4-14)21-17(22)11-7-12(18(23)24)10-20-9-11/h5-10,14H,1-4H2,(H,21,22)(H,23,24)
InChIKeyITVAJJNXCRBXJT-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.49
Rot. Bonds5

About 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid

5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 146137008) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID146137008
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1
InChIInChI=1S/C18H17FN2O4/c19-13-5-6-15(16(8-13)25-14-3-1-2-4-14)21-17(22)11-7-12(18(23)24)10-20-9-11/h5-10,14H,1-4H2,(H,21,22)(H,23,24)
InChIKeyITVAJJNXCRBXJT-UHFFFAOYSA-N
XLogP3.49
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic 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 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 146137008) is 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1.
What is the InChIKey of 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ITVAJJNXCRBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-13-5-6-15(16(8-13)25-14-3-1-2-4-14)21-17(22)11-7-12(18(23)24)10-20-9-11/h5-10,14H,1-4H2,(H,21,22)(H,23,24).
What are the key properties of 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 344.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146137008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).