5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid

C12H15FN2O3 — CID 104682180

IUPAC5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1cccc(F)n1)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-8(12(17)18)4-3-7-14-11(16)9-5-2-6-10(13)15-9/h2,5-6,8H,3-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyPWYHXHIAXBBICO-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.45
Rot. Bonds6

About 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid

5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 104682180) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
PubChem CID104682180
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1cccc(F)n1)C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-8(12(17)18)4-3-7-14-11(16)9-5-2-6-10(13)15-9/h2,5-6,8H,3-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyPWYHXHIAXBBICO-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.45
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 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic 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
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
6-fluoro-N-(2,2,3-trimethylbutyl)pyridine-2-carboxamide
CID 102612083
2-[(6-fluoropyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 115496379
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 115868364
6-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-2-carboxamide
CID 102904926
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
6-fluoro-N-pent-3-ynylpyridine-2-carboxamide
CID 104581025
6-fluoro-N-(3-phenylmethoxypropyl)pyridine-2-carboxamide
CID 115497051
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid (CID 104682180) is 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid is CC(CCCNC(=O)c1cccc(F)n1)C(=O)O.
What is the InChIKey of 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is PWYHXHIAXBBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-8(12(17)18)4-3-7-14-11(16)9-5-2-6-10(13)15-9/h2,5-6,8H,3-4,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid?
5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid has a molecular weight of 254.26 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoropyridine-2-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104682180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).