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

C19H21FN2O4 — CID 123766633

IUPAC6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid
SMILESO=C(O)CCCCCOc1ccccc1CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C19H21FN2O4/c20-17-10-9-15(13-21-17)19(25)22-12-14-6-3-4-7-16(14)26-11-5-1-2-8-18(23)24/h3-4,6-7,9-10,13H,1-2,5,8,11-12H2,(H,22,25)(H,23,24)
InChIKeyCUWHIMQOIWXRSK-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.17
Rot. Bonds10

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

6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 123766633) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

Compound Name6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid
PubChem CID123766633
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid
SMILESO=C(O)CCCCCOc1ccccc1CNC(=O)c1ccc(F)nc1
InChIInChI=1S/C19H21FN2O4/c20-17-10-9-15(13-21-17)19(25)22-12-14-6-3-4-7-16(14)26-11-5-1-2-8-18(23)24/h3-4,6-7,9-10,13H,1-2,5,8,11-12H2,(H,22,25)(H,23,24)
InChIKeyCUWHIMQOIWXRSK-UHFFFAOYSA-N
XLogP3.17
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[[[4-[2-(oxetan-3-yl)ethynyl]benzoyl]amino]methyl]phenoxy]hexanoic acid
CID 123930894
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 45487831
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119137622
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid?
The IUPAC name of 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid (CID 123766633) is 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid.
What is the SMILES notation for 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid?
The canonical SMILES for 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid is O=C(O)CCCCCOc1ccccc1CNC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid?
The InChIKey is CUWHIMQOIWXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c20-17-10-9-15(13-21-17)19(25)22-12-14-6-3-4-7-16(14)26-11-5-1-2-8-18(23)24/h3-4,6-7,9-10,13H,1-2,5,8,11-12H2,(H,22,25)(H,23,24).
What are the key properties of 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid?
6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 360.39 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 123766633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).