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

C29H34N4O3 — CID 160503317

IUPAC3-(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
SMILESC.Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(N(C)C)c1
InChIInChI=1S/C28H30N4O3.CH4/c1-17-12-20(15-22(13-17)32(2)3)28(34)30-21-6-4-18-5-7-23(16-19(18)14-21)35-25-10-11-29-27-24(25)8-9-26(33)31-27;/h5,7,10-13,15-16,21H,4,6,8-9,14H2,1-3H3,(H,30,34)(H,29,31,33);1H4/t21-;/m1./s1
InChIKeyQSBNUFNDRZKPMV-ZMBIFBSDSA-N
MW486.62 g/mol
LogP5.06
Rot. Bonds5

About 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

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 (PubChem CID 160503317) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID160503317
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name3-(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
SMILESC.Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(N(C)C)c1
InChIInChI=1S/C28H30N4O3.CH4/c1-17-12-20(15-22(13-17)32(2)3)28(34)30-21-6-4-18-5-7-23(16-19(18)14-21)35-25-10-11-29-27-24(25)8-9-26(33)31-27;/h5,7,10-13,15-16,21H,4,6,8-9,14H2,1-3H3,(H,30,34)(H,29,31,33);1H4/t21-;/m1./s1
InChIKeyQSBNUFNDRZKPMV-ZMBIFBSDSA-N
XLogP5.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-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
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-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-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
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
N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721431
5-[[3-[4-[(dimethylamino)methyl]-6-methyl-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561076
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
5-[[(1S,1aR,6bR)-1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 159835580
ethyl (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-carboxylate
CID 140919947

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(N(C)C)c1.
What is the InChIKey of 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?
The InChIKey is QSBNUFNDRZKPMV-ZMBIFBSDSA-N. The full InChI is InChI=1S/C28H30N4O3.CH4/c1-17-12-20(15-22(13-17)32(2)3)28(34)30-21-6-4-18-5-7-23(16-19(18)14-21)35-25-10-11-29-27-24(25)8-9-26(33)31-27;/h5,7,10-13,15-16,21H,4,6,8-9,14H2,1-3H3,(H,30,34)(H,29,31,33);1H4/t21-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 486.62 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160503317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).