4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

C33H31N3O6 — CID 66721424

IUPAC4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(C(=O)c4cc(OC)ccc4OC)cc2)CC3)ccn1
InChIInChI=1S/C33H31N3O6/c1-34-33(39)29-19-27(14-15-35-29)42-26-11-9-20-8-10-24(16-23(20)17-26)36-32(38)22-6-4-21(5-7-22)31(37)28-18-25(40-2)12-13-30(28)41-3/h4-7,9,11-15,17-19,24H,8,10,16H2,1-3H3,(H,34,39)(H,36,38)
InChIKeyFTYDRJWCIRUESE-UHFFFAOYSA-N
MW565.63 g/mol
LogP4.77
Rot. Bonds9

About 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 66721424) has the molecular formula C33H31N3O6 and a molecular weight of 565.63 g/mol. Its IUPAC name is 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID66721424
Molecular FormulaC33H31N3O6
Molecular Weight565.63 g/mol
Exact Mass565.22
IUPAC Name4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(C(=O)c4cc(OC)ccc4OC)cc2)CC3)ccn1
InChIInChI=1S/C33H31N3O6/c1-34-33(39)29-19-27(14-15-35-29)42-26-11-9-20-8-10-24(16-23(20)17-26)36-32(38)22-6-4-21(5-7-22)31(37)28-18-25(40-2)12-13-30(28)41-3/h4-7,9,11-15,17-19,24H,8,10,16H2,1-3H3,(H,34,39)(H,36,38)
InChIKeyFTYDRJWCIRUESE-UHFFFAOYSA-N
XLogP4.77
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.63
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721381
4-[[7-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721708
4-methoxy-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-2-carboxamide
CID 66721255
N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide
CID 66721282
N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721431
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenoxypyridine-3-carboxamide
CID 66721366
5-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indazole-3-carboxamide
CID 66721190
4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 66721610
4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721703
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (CID 66721424) is 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(C(=O)c4cc(OC)ccc4OC)cc2)CC3)ccn1.
What is the InChIKey of 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is FTYDRJWCIRUESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O6/c1-34-33(39)29-19-27(14-15-35-29)42-26-11-9-20-8-10-24(16-23(20)17-26)36-32(38)22-6-4-21(5-7-22)31(37)28-18-25(40-2)12-13-30(28)41-3/h4-7,9,11-15,17-19,24H,8,10,16H2,1-3H3,(H,34,39)(H,36,38).
What are the key properties of 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 565.63 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66721424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).