N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine

C71H64N6O16 — CID 167570231

About N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine

N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine (PubChem CID 167570231) has the molecular formula C71H64N6O16 and a molecular weight of 1257.32 g/mol. Its IUPAC name is N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine.

Molecular Properties

• Compound Name: N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine
• PubChem CID: 167570231
• Molecular Formula: C71H64N6O16
• Molecular Weight: 1257.32 g/mol
• Exact Mass: 1256.44
• IUPAC Name: N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine
• SMILES: COc1cccc(C(=O)Nc2cccc3c(NC(=O)c4cccc(OC)c4OC)cccc23)c1OC.COc1cccc(C(=O)O)c1OC.Nc1cccc2c(N)cccc12.O=C(Nc1cccc2c(NC(=O)c3cccc(O)c3O)cccc12)c1cccc(O)c1O
• InChI: InChI=1S/C28H26N2O6.C24H18N2O6.C10H10N2.C9H10O4/c1-33-23-15-7-11-19(25(23)35-3)27(31)29-21-13-5-10-18-17(21)9-6-14-22(18)30-28(32)20-12-8-16-24(34-2)26(20)36-4;27-19-11-3-7-15(21(19)29)23(31)25-17-9-1-5-13-14(17)6-2-10-18(13)26-24(32)16-8-4-12-20(28)22(16)30;11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-12-7-5-3-4-6(9(10)11)8(7)13-2/h5-16H,1-4H3,(H,29,31)(H,30,32);1-12,27-30H,(H,25,31)(H,26,32);1-6H,11-12H2;3-5H,1-2H3,(H,10,11)
• InChIKey: FUOWOXGSMSRVAV-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 342.04 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1257.32
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine?

The IUPAC name of N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine (CID 167570231) is N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine.

What is the SMILES notation for N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine?

The canonical SMILES for N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine is COc1cccc(C(=O)Nc2cccc3c(NC(=O)c4cccc(OC)c4OC)cccc23)c1OC.COc1cccc(C(=O)O)c1OC.Nc1cccc2c(N)cccc12.O=C(Nc1cccc2c(NC(=O)c3cccc(O)c3O)cccc12)c1cccc(O)c1O.

What is the InChIKey of N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine?

The InChIKey is FUOWOXGSMSRVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6.C24H18N2O6.C10H10N2.C9H10O4/c1-33-23-15-7-11-19(25(23)35-3)27(31)29-21-13-5-10-18-17(21)9-6-14-22(18)30-28(32)20-12-8-16-24(34-2)26(20)36-4;27-19-11-3-7-15(21(19)29)23(31)25-17-9-1-5-13-14(17)6-2-10-18(13)26-24(32)16-8-4-12-20(28)22(16)30;11-9-5-1-3-7-8(9)4-2-6-10(7)12;1-12-7-5-3-4-6(9(10)11)8(7)13-2/h5-16H,1-4H3,(H,29,31)(H,30,32);1-12,27-30H,(H,25,31)(H,26,32);1-6H,11-12H2;3-5H,1-2H3,(H,10,11).

What are the key properties of N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine?

N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine has a molecular weight of 1257.32 g/mol, XLogP of 12.95, 15 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,3-dihydroxybenzoyl)amino]naphthalen-1-yl]-2,3-dihydroxybenzamide;2,3-dimethoxybenzoic acid;N-[5-[(2,3-dimethoxybenzoyl)amino]naphthalen-1-yl]-2,3-dimethoxybenzamide;naphthalene-1,5-diamine is sourced from PubChem (CID 167570231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).