6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid

C14H19FN2O3 — CID 115496471

IUPAC6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1cccc(F)n1)CCC(=O)O
InChIInChI=1S/C14H19FN2O3/c1-14(2,7-6-12(18)19)8-9-16-13(20)10-4-3-5-11(15)17-10/h3-5H,6-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFUQBMAMDRPQLQM-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.23
Rot. Bonds7

About 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 115496471) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID115496471
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1cccc(F)n1)CCC(=O)O
InChIInChI=1S/C14H19FN2O3/c1-14(2,7-6-12(18)19)8-9-16-13(20)10-4-3-5-11(15)17-10/h3-5H,6-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFUQBMAMDRPQLQM-UHFFFAOYSA-N
XLogP2.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-[(3-chloro-2-fluorobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 81266022
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284126
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358
N-[2-(dimethylamino)-2-methylpropyl]-6-fluoropyridine-2-carboxamide
CID 115497619
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083

Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 115496471) is 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)c1cccc(F)n1)CCC(=O)O.
What is the InChIKey of 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is FUQBMAMDRPQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-14(2,7-6-12(18)19)8-9-16-13(20)10-4-3-5-11(15)17-10/h3-5H,6-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 115496471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).