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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Related Compounds

cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675656
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
N-cyclopropyl-5-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 117086611
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012217
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401490

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).