4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H19FN2O3 — CID 154846839

IUPAC4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H19FN2O3/c20-16-3-1-2-13(9-16)14-8-15(11-21-10-14)18(23)22-17-6-4-12(5-7-17)19(24)25/h1-3,8-12,17H,4-7H2,(H,22,23)(H,24,25)
InChIKeyYHJVEAVPJKNVFH-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.26
Rot. Bonds4

About 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 154846839) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID154846839
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C19H19FN2O3/c20-16-3-1-2-13(9-16)14-8-15(11-21-10-14)18(23)22-17-6-4-12(5-7-17)19(24)25/h1-3,8-12,17H,4-7H2,(H,22,23)(H,24,25)
InChIKeyYHJVEAVPJKNVFH-UHFFFAOYSA-N
XLogP3.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 154846839) is 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cncc(-c2cccc(F)c2)c1.
What is the InChIKey of 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is YHJVEAVPJKNVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-3-1-2-13(9-16)14-8-15(11-21-10-14)18(23)22-17-6-4-12(5-7-17)19(24)25/h1-3,8-12,17H,4-7H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154846839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).