4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19FN2O3 — CID 122023799

IUPAC4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC=C(F)C2)CC1
InChIInChI=1S/C13H19FN2O3/c14-10-2-1-7-16(8-10)13(19)15-11-5-3-9(4-6-11)12(17)18/h2,9,11H,1,3-8H2,(H,15,19)(H,17,18)
InChIKeyDVYSICKFRSNOFV-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.90
Rot. Bonds2

About 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122023799) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122023799
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC=C(F)C2)CC1
InChIInChI=1S/C13H19FN2O3/c14-10-2-1-7-16(8-10)13(19)15-11-5-3-9(4-6-11)12(17)18/h2,9,11H,1,3-8H2,(H,15,19)(H,17,18)
InChIKeyDVYSICKFRSNOFV-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 122023799) is 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCC=C(F)C2)CC1.
What is the InChIKey of 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DVYSICKFRSNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c14-10-2-1-7-16(8-10)13(19)15-11-5-3-9(4-6-11)12(17)18/h2,9,11H,1,3-8H2,(H,15,19)(H,17,18).
What are the key properties of 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).