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

C18H20N2O7 — CID 44579302

IUPACN-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
SMILESO=C(NC(=O)c1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
InChIKeyCWTXJPICSREUOK-OWVAZHOYSA-N
MW376.37 g/mol
LogP-0.92
Rot. Bonds3

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

N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide (PubChem CID 44579302) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
PubChem CID44579302
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC NameN-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide
SMILESO=C(NC(=O)c1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
InChIKeyCWTXJPICSREUOK-OWVAZHOYSA-N
XLogP-0.92
TPSA148.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 5-0.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea
CID 446600
N-[(4-Tert-Butylbenzoyl)carbamoyl]-Beta-D-Glucopyranosylamine
CID 72193893
N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide
CID 165416413
N-{[(4-methylphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
CID 24851683
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-(Trifluoromethyl)benzoyl]carbamoyl}-Beta-D-Glucopyranosylamine
CID 72193892
N-[4-(5,6,7,8-Tetrahydronaphthalen-2-Yl)butanoyl]-Beta-D-Glucopyranosylamine
CID 76210613
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]anthracene-9-carboxamide
CID 5275940
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]naphthalene-2-carboxamide
CID 168273183
N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-2-naphthamide
CID 44579270
(E)-3-naphthalen-2-yl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enamide
CID 11233685

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide (CID 44579302) is N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide is O=C(NC(=O)c1ccc2ccccc2c1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide?
The InChIKey is CWTXJPICSREUOK-OWVAZHOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/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]carbamoyl]naphthalene-2-carboxamide?
N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]naphthalene-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of -0.92, 3 rotatable bonds, 6 hydrogen bond donors, and 7 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]carbamoyl]naphthalene-2-carboxamide is sourced from PubChem (CID 44579302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).