ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid

C51H55F6N3O7 — CID 143253252

IUPACethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
SMILESCC.CCC(C)(NC(=O)c1ccc2ccccc2c1C)C(=O)O.CCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)C(=O)O.CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H22F3NO4.C17H19NO3.C8H8F3N.C2H6/c1-3-23(2,22(30)31)28-21(29)19-13-10-16-6-4-5-7-18(16)20(19)32-14-15-8-11-17(12-9-15)24(25,26)27;1-4-17(3,16(20)21)18-15(19)14-10-9-12-7-5-6-8-13(12)11(14)2;1-2-6-3-4-7(12-5-6)8(9,10)11;1-2/h4-13H,3,14H2,1-2H3,(H,28,29)(H,30,31);5-10H,4H2,1-3H3,(H,18,19)(H,20,21);3-5H,2H2,1H3;1-2H3
InChIKeyBCTTUXUQVJXNKN-UHFFFAOYSA-N
MW936.00 g/mol
LogP12.24
Rot. Bonds12

About ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid

ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid (PubChem CID 143253252) has the molecular formula C51H55F6N3O7 and a molecular weight of 936.00 g/mol. Its IUPAC name is ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Nameethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
PubChem CID143253252
Molecular FormulaC51H55F6N3O7
Molecular Weight936.00 g/mol
Exact Mass935.39
IUPAC Nameethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
SMILESCC.CCC(C)(NC(=O)c1ccc2ccccc2c1C)C(=O)O.CCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)C(=O)O.CCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H22F3NO4.C17H19NO3.C8H8F3N.C2H6/c1-3-23(2,22(30)31)28-21(29)19-13-10-16-6-4-5-7-18(16)20(19)32-14-15-8-11-17(12-9-15)24(25,26)27;1-4-17(3,16(20)21)18-15(19)14-10-9-12-7-5-6-8-13(12)11(14)2;1-2-6-3-4-7(12-5-6)8(9,10)11;1-2/h4-13H,3,14H2,1-2H3,(H,28,29)(H,30,31);5-10H,4H2,1-3H3,(H,18,19)(H,20,21);3-5H,2H2,1H3;1-2H3
InChIKeyBCTTUXUQVJXNKN-UHFFFAOYSA-N
XLogP12.24
TPSA154.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.00
LogP ≤ 512.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 54755602
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-vinylpyridin-3-yl)methyl]-2-naphthamide
CID 54755721
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-[(6-ethylpyridin-3-yl)methyl]-2-naphthamide
CID 71280872
Ethyl 3-hydroxy-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022623
4-(2-{[7-(5-Phenyl-pyridin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 44352316
N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532820
5-(4-Butoxy-3-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)phenyl)picolinic acid
CID 46879905
2,2-Dimethyl-3-[[5-[4-(naphthalene-2-carbonylamino)phenyl]-2-pyridinyl]oxy]propanoic acid
CID 56950373
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-2-ylbenzoyl)amino]methyl]phenyl]propanoic acid
CID 71584601
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methoxy-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 76310997
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyridin-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 76336368
5-[[2-(4-Fluoro-2-methoxyphenoxy)-4,6-bis(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845370

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The IUPAC name of ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid (CID 143253252) is ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The canonical SMILES for ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid is CC.CCC(C)(NC(=O)c1ccc2ccccc2c1C)C(=O)O.CCC(C)(NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)C(=O)O.CCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
The InChIKey is BCTTUXUQVJXNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO4.C17H19NO3.C8H8F3N.C2H6/c1-3-23(2,22(30)31)28-21(29)19-13-10-16-6-4-5-7-18(16)20(19)32-14-15-8-11-17(12-9-15)24(25,26)27;1-4-17(3,16(20)21)18-15(19)14-10-9-12-7-5-6-8-13(12)11(14)2;1-2-6-3-4-7(12-5-6)8(9,10)11;1-2/h4-13H,3,14H2,1-2H3,(H,28,29)(H,30,31);5-10H,4H2,1-3H3,(H,18,19)(H,20,21);3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid?
ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid has a molecular weight of 936.00 g/mol, XLogP of 12.24, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 143253252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).