4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide

C24H23N3O5 — CID 123691902

IUPAC4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3c(c2)CC(NC(=O)c2ccc(O)c(O)c2)CC3)ccn1
InChIInChI=1S/C24H23N3O5/c25-23(30)20-9-14(7-8-26-20)13-32-19-5-2-15-1-4-18(10-17(15)11-19)27-24(31)16-3-6-21(28)22(29)12-16/h2-3,5-9,11-12,18,28-29H,1,4,10,13H2,(H2,25,30)(H,27,31)
InChIKeyGMNCTDYPRHTJBI-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.46
Rot. Bonds6

About 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide

4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 123691902) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID123691902
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(COc2ccc3c(c2)CC(NC(=O)c2ccc(O)c(O)c2)CC3)ccn1
InChIInChI=1S/C24H23N3O5/c25-23(30)20-9-14(7-8-26-20)13-32-19-5-2-15-1-4-18(10-17(15)11-19)27-24(31)16-3-6-21(28)22(29)12-16/h2-3,5-9,11-12,18,28-29H,1,4,10,13H2,(H2,25,30)(H,27,31)
InChIKeyGMNCTDYPRHTJBI-UHFFFAOYSA-N
XLogP2.46
TPSA134.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[7-[[4-(aminomethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 123476978
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
4-[[7-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721708
4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721381
4-[(1-methylimidazol-2-yl)methoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55874723
4-[[7-[[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 90950052
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189
4-[[7-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]oxymethyl]pyridine-2-carboxamide
CID 91288953
4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721424
N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
(2S)-2-hydroxy-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 57222877

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide (CID 123691902) is 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide is NC(=O)c1cc(COc2ccc3c(c2)CC(NC(=O)c2ccc(O)c(O)c2)CC3)ccn1.
What is the InChIKey of 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is GMNCTDYPRHTJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c25-23(30)20-9-14(7-8-26-20)13-32-19-5-2-15-1-4-18(10-17(15)11-19)27-24(31)16-3-6-21(28)22(29)12-16/h2-3,5-9,11-12,18,28-29H,1,4,10,13H2,(H2,25,30)(H,27,31).
What are the key properties of 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide?
4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(3,4-dihydroxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 123691902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).