3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

C17H13NO4 — CID 21014352

IUPAC3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc2ccc(O)cc2cc1O
InChIInChI=1S/C17H13NO4/c19-13-3-1-2-12(9-13)18-17(22)15-7-10-4-5-14(20)6-11(10)8-16(15)21/h1-9,19-21H,(H,18,22)
InChIKeyYIWCLGNAOVJSOA-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.21
Rot. Bonds2

About 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide

3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 21014352) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
PubChem CID21014352
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc2ccc(O)cc2cc1O
InChIInChI=1S/C17H13NO4/c19-13-3-1-2-12(9-13)18-17(22)15-7-10-4-5-14(20)6-11(10)8-16(15)21/h1-9,19-21H,(H,18,22)
InChIKeyYIWCLGNAOVJSOA-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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Related Compounds

Napthol asol
CID 67274
3-Hydroxy-4'-methoxy-2-naphthanilide
CID 66721
3-Hydroxy-3'-nitro-2-naphthanilide
CID 67277
C.I. 37505
CID 66719
4'-Ethoxy-3-hydroxy-2-naphthanilide
CID 78443
2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-
CID 67275
3-hydroxy-N-1-naphthyl-2-naphthamide
CID 67241
4'-Chloro-3-hydroxy-2-naphthanilide
CID 66720
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
CID 67273
Anthonaphthol SW
CID 67276
3-Hydroxy-4'-methyl-2-naphthanilide
CID 77215
2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-hydroxy-
CID 66718

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide (CID 21014352) is 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide is O=C(Nc1cccc(O)c1)c1cc2ccc(O)cc2cc1O.
What is the InChIKey of 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is YIWCLGNAOVJSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-13-3-1-2-12(9-13)18-17(22)15-7-10-4-5-14(20)6-11(10)8-16(15)21/h1-9,19-21H,(H,18,22).
What are the key properties of 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide?
3,6-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 3,6-dihydroxy-N-(3-hydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 21014352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).