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

C14H17FN2O3 — CID 104785488

IUPAC1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1cncc(F)c1
InChIInChI=1S/C14H17FN2O3/c15-11-7-10(8-16-9-11)12(18)17-14(13(19)20)5-3-1-2-4-6-14/h7-9H,1-6H2,(H,17,18)(H,19,20)
InChIKeyCUNUYGJPYZSMAG-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.13
Rot. Bonds3

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

1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 104785488) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID104785488
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1cncc(F)c1
InChIInChI=1S/C14H17FN2O3/c15-11-7-10(8-16-9-11)12(18)17-14(13(19)20)5-3-1-2-4-6-14/h7-9H,1-6H2,(H,17,18)(H,19,20)
InChIKeyCUNUYGJPYZSMAG-UHFFFAOYSA-N
XLogP2.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 104785488) is 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCCC1)c1cncc(F)c1.
What is the InChIKey of 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is CUNUYGJPYZSMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-7-10(8-16-9-11)12(18)17-14(13(19)20)5-3-1-2-4-6-14/h7-9H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 104785488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).