7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid

C13H17FN2O3 — CID 113323237

IUPAC7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O3/c14-11-7-5-6-10(16-11)13(19)15-9-4-2-1-3-8-12(17)18/h5-7H,1-4,8-9H2,(H,15,19)(H,17,18)
InChIKeyYFAFBBZQRKMCMD-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.99
Rot. Bonds8

About 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid

7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid (PubChem CID 113323237) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
PubChem CID113323237
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O3/c14-11-7-5-6-10(16-11)13(19)15-9-4-2-1-3-8-12(17)18/h5-7H,1-4,8-9H2,(H,15,19)(H,17,18)
InChIKeyYFAFBBZQRKMCMD-UHFFFAOYSA-N
XLogP1.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.99
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 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic 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

6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 104682180
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
CID 115497051
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649

Frequently Asked Questions

What is the IUPAC name of 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid (CID 113323237) is 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1cccc(F)n1.
What is the InChIKey of 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid?
The InChIKey is YFAFBBZQRKMCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-11-7-5-6-10(16-11)13(19)15-9-4-2-1-3-8-12(17)18/h5-7H,1-4,8-9H2,(H,15,19)(H,17,18).
What are the key properties of 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid?
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid has a molecular weight of 268.29 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 113323237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).