3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

C17H13NO4 — CID 21036218

IUPAC3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C17H13NO4/c19-12-5-2-4-11(8-12)18-17(22)14-7-10-3-1-6-15(20)13(10)9-16(14)21/h1-9,19-21H,(H,18,22)
InChIKeyPSRVKITYLXZHCQ-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.21
Rot. Bonds2

About 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 21036218) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
PubChem CID21036218
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C17H13NO4/c19-12-5-2-4-11(8-12)18-17(22)14-7-10-3-1-6-15(20)13(10)9-16(14)21/h1-9,19-21H,(H,18,22)
InChIKeyPSRVKITYLXZHCQ-UHFFFAOYSA-N
XLogP3.21
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide (CID 21036218) is 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide is O=C(Nc1cccc(O)c1)c1cc2cccc(O)c2cc1O.
What is the InChIKey of 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is PSRVKITYLXZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-12-5-2-4-11(8-12)18-17(22)14-7-10-3-1-6-15(20)13(10)9-16(14)21/h1-9,19-21H,(H,18,22).
What are the key properties of 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 21036218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).