3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C31H33N3O3 — CID 70861307

IUPAC3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C1CCc2c(Oc3ccc4c(c3)C[C@H](NC(=O)c3cccc(C5CCCCC5)c3)CC4)ccnc2N1
InChIInChI=1S/C31H33N3O3/c35-29-14-13-27-28(15-16-32-30(27)34-29)37-26-12-10-21-9-11-25(18-24(21)19-26)33-31(36)23-8-4-7-22(17-23)20-5-2-1-3-6-20/h4,7-8,10,12,15-17,19-20,25H,1-3,5-6,9,11,13-14,18H2,(H,33,36)(H,32,34,35)/t25-/m1/s1
InChIKeyIIIDDVPLVPTNDT-RUZDIDTESA-N
MW495.62 g/mol
LogP6.09
Rot. Bonds5

About 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 70861307) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID70861307
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C1CCc2c(Oc3ccc4c(c3)C[C@H](NC(=O)c3cccc(C5CCCCC5)c3)CC4)ccnc2N1
InChIInChI=1S/C31H33N3O3/c35-29-14-13-27-28(15-16-32-30(27)34-29)37-26-12-10-21-9-11-25(18-24(21)19-26)33-31(36)23-8-4-7-22(17-23)20-5-2-1-3-6-20/h4,7-8,10,12,15-17,19-20,25H,1-3,5-6,9,11,13-14,18H2,(H,33,36)(H,32,34,35)/t25-/m1/s1
InChIKeyIIIDDVPLVPTNDT-RUZDIDTESA-N
XLogP6.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-5-methyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide;methane
CID 160503317
3-(2-aminopropan-2-yl)-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;dihydrochloride
CID 90488999
3-[(1S)-1-amino-2-hydroxyethyl]-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 46847263
N-[(1R,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(1-cyanocyclopropyl)benzamide
CID 86763894
N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055673
5-[3-[(1S,2S,3S)-1-[(cyclohexylamino)methylamino]-2-bicyclo[1.1.0]butanyl]-4-hydroxyphenoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 129192112
4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721381
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
1-cyclopropyl-3-[(1S,2S,3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]urea
CID 130330655
4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244716
N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564
4-[[7-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721708

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 70861307) is 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is O=C1CCc2c(Oc3ccc4c(c3)C[C@H](NC(=O)c3cccc(C5CCCCC5)c3)CC4)ccnc2N1.
What is the InChIKey of 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is IIIDDVPLVPTNDT-RUZDIDTESA-N. The full InChI is InChI=1S/C31H33N3O3/c35-29-14-13-27-28(15-16-32-30(27)34-29)37-26-12-10-21-9-11-25(18-24(21)19-26)33-31(36)23-8-4-7-22(17-23)20-5-2-1-3-6-20/h4,7-8,10,12,15-17,19-20,25H,1-3,5-6,9,11,13-14,18H2,(H,33,36)(H,32,34,35)/t25-/m1/s1.
What are the key properties of 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 495.62 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 70861307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).