(2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide

C19H23FN2O6 — CID 142687581

IUPAC(2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
SMILESCC(C)C[C@H](C(=O)N1CC(O)=C(c2ccc(F)cc2)C=C1O)[C@@H](O)C(=O)NO
InChIInChI=1S/C19H23FN2O6/c1-10(2)7-14(17(25)18(26)21-28)19(27)22-9-15(23)13(8-16(22)24)11-3-5-12(20)6-4-11/h3-6,8,10,14,17,23-25,28H,7,9H2,1-2H3,(H,21,26)/t14-,17+/m0/s1
InChIKeyIJFQLMOSUCAARC-WMLDXEAASA-N
MW394.40 g/mol
LogP1.87
Rot. Bonds6

About (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide

(2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide (PubChem CID 142687581) has the molecular formula C19H23FN2O6 and a molecular weight of 394.40 g/mol. Its IUPAC name is (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide.

Molecular Properties

Compound Name(2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
PubChem CID142687581
Molecular FormulaC19H23FN2O6
Molecular Weight394.40 g/mol
Exact Mass394.15
IUPAC Name(2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
SMILESCC(C)C[C@H](C(=O)N1CC(O)=C(c2ccc(F)cc2)C=C1O)[C@@H](O)C(=O)NO
InChIInChI=1S/C19H23FN2O6/c1-10(2)7-14(17(25)18(26)21-28)19(27)22-9-15(23)13(8-16(22)24)11-3-5-12(20)6-4-11/h3-6,8,10,14,17,23-25,28H,7,9H2,1-2H3,(H,21,26)/t14-,17+/m0/s1
InChIKeyIJFQLMOSUCAARC-WMLDXEAASA-N
XLogP1.87
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide?
The IUPAC name of (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide (CID 142687581) is (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide.
What is the SMILES notation for (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide?
The canonical SMILES for (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide is CC(C)C[C@H](C(=O)N1CC(O)=C(c2ccc(F)cc2)C=C1O)[C@@H](O)C(=O)NO.
What is the InChIKey of (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide?
The InChIKey is IJFQLMOSUCAARC-WMLDXEAASA-N. The full InChI is InChI=1S/C19H23FN2O6/c1-10(2)7-14(17(25)18(26)21-28)19(27)22-9-15(23)13(8-16(22)24)11-3-5-12(20)6-4-11/h3-6,8,10,14,17,23-25,28H,7,9H2,1-2H3,(H,21,26)/t14-,17+/m0/s1.
What are the key properties of (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide?
(2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide has a molecular weight of 394.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[4-(4-fluorophenyl)-3,6-dihydroxy-2H-pyridine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide is sourced from PubChem (CID 142687581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).