5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide

C21H21N3O4 — CID 10499929

IUPAC5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C21H21N3O4/c25-17-5-7-19(26)14(11-17)13-24-16-4-6-20(27)18(12-16)21(28)23-10-8-15-3-1-2-9-22-15/h1-7,9,11-12,24-27H,8,10,13H2,(H,23,28)
InChIKeyHDBUXOHSMWIMJN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.78
Rot. Bonds7

About 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide

5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 10499929) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID10499929
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESO=C(NCCc1ccccn1)c1cc(NCc2cc(O)ccc2O)ccc1O
InChIInChI=1S/C21H21N3O4/c25-17-5-7-19(26)14(11-17)13-24-16-4-6-20(27)18(12-16)21(28)23-10-8-15-3-1-2-9-22-15/h1-7,9,11-12,24-27H,8,10,13H2,(H,23,28)
InChIKeyHDBUXOHSMWIMJN-UHFFFAOYSA-N
XLogP2.78
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-({4-[5-(4,4-Dimethylpiperidin-1-YL)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-YL]isonicotinamide
CID 5289253
N-[4-({4-[5-(Dimethylamino)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-YL]isonicotinamide
CID 5289255
N-(4-{[4-(2-Hydroxy-5-piperidin-1-ylbenzoyl)benzoyl]amino}azepan-3-YL)isonicotinamide
CID 5289256
N-[4-({4-[5-(3,3-Dimethylpiperidin-1-YL)-2-hydroxybenzoyl]benzoyl}amino)azepan-3-YL]isonicotinamide
CID 5289257
2-hydroxy-N-(pyridin-3-yl)benzamide
CID 578240
2-hydroxy-N-((pyridin-2-yl)methyl)benzamide
CID 778091
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567041
2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567042
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
8-hydroxy-N-(2-phenylethyl)quinoline-7-carboxamide
CID 44419287
2-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
CID 89717400

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide (CID 10499929) is 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide is O=C(NCCc1ccccn1)c1cc(NCc2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is HDBUXOHSMWIMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-17-5-7-19(26)14(11-17)13-24-16-4-6-20(27)18(12-16)21(28)23-10-8-15-3-1-2-9-22-15/h1-7,9,11-12,24-27H,8,10,13H2,(H,23,28).
What are the key properties of 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide?
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxy-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 10499929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).