2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H15FN2O3 — CID 104785617

IUPAC2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)13(18)19/h5-7,10-11H,1-4H2,(H,16,17)(H,18,19)
InChIKeyMLIBXZZHSJVGDQ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.59
Rot. Bonds3

About 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 104785617) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID104785617
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)13(18)19/h5-7,10-11H,1-4H2,(H,16,17)(H,18,19)
InChIKeyMLIBXZZHSJVGDQ-UHFFFAOYSA-N
XLogP1.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-hydroxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813924
2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104785629
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide
CID 113452887
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 167801853
3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 104785617) is 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MLIBXZZHSJVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)13(18)19/h5-7,10-11H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104785617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).