N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide

C19H21FN2O4 — CID 110157669

IUPACN-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2ccccn2)[C@@H]1O
InChIInChI=1S/C19H21FN2O4/c1-12-17(23)19(25,11-22-18(24)15-7-2-3-8-21-15)10-16(26-12)13-5-4-6-14(20)9-13/h2-9,12,16-17,23,25H,10-11H2,1H3,(H,22,24)/t12-,16-,17-,19-/m1/s1
InChIKeyXSTUEMWPAKIIDM-MYFFOXHASA-N
MW360.39 g/mol
LogP1.59
Rot. Bonds4

About N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide

N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 110157669) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide
PubChem CID110157669
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide
SMILESC[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2ccccn2)[C@@H]1O
InChIInChI=1S/C19H21FN2O4/c1-12-17(23)19(25,11-22-18(24)15-7-2-3-8-21-15)10-16(26-12)13-5-4-6-14(20)9-13/h2-9,12,16-17,23,25H,10-11H2,1H3,(H,22,24)/t12-,16-,17-,19-/m1/s1
InChIKeyXSTUEMWPAKIIDM-MYFFOXHASA-N
XLogP1.59
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide (CID 110157669) is N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide is C[C@H]1O[C@@H](c2cccc(F)c2)C[C@@](O)(CNC(=O)c2ccccn2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is XSTUEMWPAKIIDM-MYFFOXHASA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-12-17(23)19(25,11-22-18(24)15-7-2-3-8-21-15)10-16(26-12)13-5-4-6-14(20)9-13/h2-9,12,16-17,23,25H,10-11H2,1H3,(H,22,24)/t12-,16-,17-,19-/m1/s1.
What are the key properties of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide?
N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110157669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).