4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

C25H24FN3O4 — CID 66721381

IUPAC4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(F)c(OC)c2)CC3)ccn1
InChIInChI=1S/C25H24FN3O4/c1-27-25(31)22-14-20(9-10-28-22)33-19-7-4-15-3-6-18(11-17(15)12-19)29-24(30)16-5-8-21(26)23(13-16)32-2/h4-5,7-10,12-14,18H,3,6,11H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyBKMLQAKHHPVRLN-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.67
Rot. Bonds6

About 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 66721381) has the molecular formula C25H24FN3O4 and a molecular weight of 449.48 g/mol. Its IUPAC name is 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID66721381
Molecular FormulaC25H24FN3O4
Molecular Weight449.48 g/mol
Exact Mass449.18
IUPAC Name4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(F)c(OC)c2)CC3)ccn1
InChIInChI=1S/C25H24FN3O4/c1-27-25(31)22-14-20(9-10-28-22)33-19-7-4-15-3-6-18(11-17(15)12-19)29-24(30)16-5-8-21(26)23(13-16)32-2/h4-5,7-10,12-14,18H,3,6,11H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyBKMLQAKHHPVRLN-UHFFFAOYSA-N
XLogP3.67
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721424
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
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
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
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (CID 66721381) is 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc(F)c(OC)c2)CC3)ccn1.
What is the InChIKey of 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is BKMLQAKHHPVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4/c1-27-25(31)22-14-20(9-10-28-22)33-19-7-4-15-3-6-18(11-17(15)12-19)29-24(30)16-5-8-21(26)23(13-16)32-2/h4-5,7-10,12-14,18H,3,6,11H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).