4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H19FN2O4 — CID 22058409

IUPAC4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4/c20-13-5-9-15(10-6-13)26-18-16(2-1-11-21-18)17(23)22-14-7-3-12(4-8-14)19(24)25/h1-2,5-6,9-12,14H,3-4,7-8H2,(H,22,23)(H,24,25)
InChIKeyXYFANDFOGCFYGL-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.39
Rot. Bonds5

About 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 22058409) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID22058409
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O4/c20-13-5-9-15(10-6-13)26-18-16(2-1-11-21-18)17(23)22-14-7-3-12(4-8-14)19(24)25/h1-2,5-6,9-12,14H,3-4,7-8H2,(H,22,23)(H,24,25)
InChIKeyXYFANDFOGCFYGL-UHFFFAOYSA-N
XLogP3.39
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120215
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
2-(2-chlorophenoxy)-N-cyclohexylpyridine-3-carboxamide
CID 56661736
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
CID 158441058
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
CID 22058434
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 22058409) is 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XYFANDFOGCFYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-13-5-9-15(10-6-13)26-18-16(2-1-11-21-18)17(23)22-14-7-3-12(4-8-14)19(24)25/h1-2,5-6,9-12,14H,3-4,7-8H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22058409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).