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

C20H23FN2O4 — CID 155900020

IUPACN-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC[C@]1(O)C[C@H](c2cccc(F)c2)O[C@H](C)[C@H]1O
InChIInChI=1S/C20H23FN2O4/c1-12-5-4-8-22-17(12)19(25)23-11-20(26)10-16(27-13(2)18(20)24)14-6-3-7-15(21)9-14/h3-9,13,16,18,24,26H,10-11H2,1-2H3,(H,23,25)/t13-,16-,18-,20-/m1/s1
InChIKeyAXYWEGWGZJSRDJ-SIKWWSQNSA-N
MW374.41 g/mol
LogP1.90
Rot. Bonds4

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

N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 155900020) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID155900020
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC[C@]1(O)C[C@H](c2cccc(F)c2)O[C@H](C)[C@H]1O
InChIInChI=1S/C20H23FN2O4/c1-12-5-4-8-22-17(12)19(25)23-11-20(26)10-16(27-13(2)18(20)24)14-6-3-7-15(21)9-14/h3-9,13,16,18,24,26H,10-11H2,1-2H3,(H,23,25)/t13-,16-,18-,20-/m1/s1
InChIKeyAXYWEGWGZJSRDJ-SIKWWSQNSA-N
XLogP1.90
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.90
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]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide (CID 155900020) is N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC[C@]1(O)C[C@H](c2cccc(F)c2)O[C@H](C)[C@H]1O.
What is the InChIKey of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is AXYWEGWGZJSRDJ-SIKWWSQNSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-12-5-4-8-22-17(12)19(25)23-11-20(26)10-16(27-13(2)18(20)24)14-6-3-7-15(21)9-14/h3-9,13,16,18,24,26H,10-11H2,1-2H3,(H,23,25)/t13-,16-,18-,20-/m1/s1.
What are the key properties of N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide?
N-[[(2R,3R,4R,6R)-6-(3-fluorophenyl)-3,4-dihydroxy-2-methyloxan-4-yl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 1.90, 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]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155900020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).