6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide

C17H13NO3 — CID 122191873

IUPAC6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1
InChIInChI=1S/C17H13NO3/c18-17(21)14-4-3-10-7-11(1-2-12(10)8-14)13-5-6-15(19)16(20)9-13/h1-9,19-20H,(H2,18,21)
InChIKeyNFYNPVXFOIEJNS-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.02
Rot. Bonds2

About 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide

6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 122191873) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide
PubChem CID122191873
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1
InChIInChI=1S/C17H13NO3/c18-17(21)14-4-3-10-7-11(1-2-12(10)8-14)13-5-6-15(19)16(20)9-13/h1-9,19-20H,(H2,18,21)
InChIKeyNFYNPVXFOIEJNS-UHFFFAOYSA-N
XLogP3.02
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide (CID 122191873) is 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide is NC(=O)c1ccc2cc(-c3ccc(O)c(O)c3)ccc2c1.
What is the InChIKey of 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is NFYNPVXFOIEJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c18-17(21)14-4-3-10-7-11(1-2-12(10)8-14)13-5-6-15(19)16(20)9-13/h1-9,19-20H,(H2,18,21).
What are the key properties of 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide?
6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 122191873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).