4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide

C26H26N4O4 — CID 145216667

IUPAC4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1N.Cc1ccccc1NC(=O)c1cc2ccccc2c(N)c1O
InChIInChI=1S/C18H16N2O2.C8H10N2O2/c1-11-6-2-5-9-15(11)20-18(22)14-10-12-7-3-4-8-13(12)16(19)17(14)21;1-12-7-3-2-5(8(10)11)4-6(7)9/h2-10,21H,19H2,1H3,(H,20,22);2-4H,9H2,1H3,(H2,10,11)
InChIKeyRXNWUILBNSWWHS-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.06
Rot. Bonds4

About 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide

4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide (PubChem CID 145216667) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
PubChem CID145216667
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1N.Cc1ccccc1NC(=O)c1cc2ccccc2c(N)c1O
InChIInChI=1S/C18H16N2O2.C8H10N2O2/c1-11-6-2-5-9-15(11)20-18(22)14-10-12-7-3-4-8-13(12)16(19)17(14)21;1-12-7-3-2-5(8(10)11)4-6(7)9/h2-10,21H,19H2,1H3,(H,20,22);2-4H,9H2,1H3,(H2,10,11)
InChIKeyRXNWUILBNSWWHS-UHFFFAOYSA-N
XLogP4.06
TPSA153.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide
CID 145216655
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 3022731
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
CID 145160136
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 136830288
4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
CID 143054180
N-(4-acetamido-2-methylphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 137119809
1-hydroxy-4-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 20719420
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide (CID 145216667) is 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide is COc1ccc(C(N)=O)cc1N.Cc1ccccc1NC(=O)c1cc2ccccc2c(N)c1O.
What is the InChIKey of 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide?
The InChIKey is RXNWUILBNSWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.C8H10N2O2/c1-11-6-2-5-9-15(11)20-18(22)14-10-12-7-3-4-8-13(12)16(19)17(14)21;1-12-7-3-2-5(8(10)11)4-6(7)9/h2-10,21H,19H2,1H3,(H,20,22);2-4H,9H2,1H3,(H2,10,11).
What are the key properties of 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide?
4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide has a molecular weight of 458.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide is sourced from PubChem (CID 145216667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).