6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid

C12H15FN2O3 — CID 114037457

IUPAC6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cccnc1F
InChIInChI=1S/C12H15FN2O3/c13-11-9(5-4-8-14-11)12(18)15-7-3-1-2-6-10(16)17/h4-5,8H,1-3,6-7H2,(H,15,18)(H,16,17)
InChIKeyCYIHMYQLKHCEON-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.60
Rot. Bonds7

About 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid

6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 114037457) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
PubChem CID114037457
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cccnc1F
InChIInChI=1S/C12H15FN2O3/c13-11-9(5-4-8-14-11)12(18)15-7-3-1-2-6-10(16)17/h4-5,8H,1-3,6-7H2,(H,15,18)(H,16,17)
InChIKeyCYIHMYQLKHCEON-UHFFFAOYSA-N
XLogP1.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
CID 81362822
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid (CID 114037457) is 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cccnc1F.
What is the InChIKey of 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is CYIHMYQLKHCEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-11-9(5-4-8-14-11)12(18)15-7-3-1-2-6-10(16)17/h4-5,8H,1-3,6-7H2,(H,15,18)(H,16,17).
What are the key properties of 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid?
6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 254.26 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoropyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114037457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).