N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide

C17H19NO6 — CID 44579269

IUPACN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
InChIKeyZRADTVPEZAWXOT-OWVAZHOYSA-N
MW333.34 g/mol
LogP-0.63
Rot. Bonds3

About N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide

N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide (PubChem CID 44579269) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide
PubChem CID44579269
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1
InChIKeyZRADTVPEZAWXOT-OWVAZHOYSA-N
XLogP-0.63
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide with MolForge

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Related Compounds

N-[[(2r,3r,4s,5s,6r)-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]carbamoyl]naphthalene-2-Carboxamide
CID 44579302
N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide
CID 165416413
N-(phenylcarbonyl)-beta-D-glucopyranosylamine
CID 11243053
3-phenyl-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 127048545
N-[(biphenyl-4-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
CID 24851684
N-[[(2r,3r,4s,5s,6r)-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]carbamoyl]naphthalene-1-Carboxamide
CID 44579301
N-[4-(5,6,7,8-Tetrahydronaphthalen-2-Yl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210613
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412
Methyl-3''-naphthyl-2-amido-Lactoe-N-Acyl
CID 52941275
Naphthalene-1-carboxylic acid ((3S,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-pyrrolidin-2-ylmethyl)-amide
CID 118718746
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphthalene-2-carboxamide
CID 168273183
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168282777

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide (CID 44579269) is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide is O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc2ccccc12.
What is the InChIKey of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide?
The InChIKey is ZRADTVPEZAWXOT-OWVAZHOYSA-N. The full InChI is InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide?
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide has a molecular weight of 333.34 g/mol, XLogP of -0.63, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 44579269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).