ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

C40H41F3N6O3 — CID 144631401

IUPACethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCC.Cc1cc(C(F)(F)F)ccc1-c1cncc2ccc(C(N)=O)nc12.Cc1ccccc1-c1cncc2ccc(C(=O)NC(C)C(C)(C)O)nc12
InChIInChI=1S/C21H23N3O2.C17H12F3N3O.C2H6/c1-13-7-5-6-8-16(13)17-12-22-11-15-9-10-18(24-19(15)17)20(25)23-14(2)21(3,4)26;1-9-6-11(17(18,19)20)3-4-12(9)13-8-22-7-10-2-5-14(16(21)24)23-15(10)13;1-2/h5-12,14,26H,1-4H3,(H,23,25);2-8H,1H3,(H2,21,24);1-2H3
InChIKeyRQEWARUDCNNGSU-UHFFFAOYSA-N
MW710.80 g/mol
LogP8.24
Rot. Bonds6

About ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide

ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 144631401) has the molecular formula C40H41F3N6O3 and a molecular weight of 710.80 g/mol. Its IUPAC name is ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID144631401
Molecular FormulaC40H41F3N6O3
Molecular Weight710.80 g/mol
Exact Mass710.32
IUPAC Nameethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCC.Cc1cc(C(F)(F)F)ccc1-c1cncc2ccc(C(N)=O)nc12.Cc1ccccc1-c1cncc2ccc(C(=O)NC(C)C(C)(C)O)nc12
InChIInChI=1S/C21H23N3O2.C17H12F3N3O.C2H6/c1-13-7-5-6-8-16(13)17-12-22-11-15-9-10-18(24-19(15)17)20(25)23-14(2)21(3,4)26;1-9-6-11(17(18,19)20)3-4-12(9)13-8-22-7-10-2-5-14(16(21)24)23-15(10)13;1-2/h5-12,14,26H,1-4H3,(H,23,25);2-8H,1H3,(H2,21,24);1-2H3
InChIKeyRQEWARUDCNNGSU-UHFFFAOYSA-N
XLogP8.24
TPSA143.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.80
LogP ≤ 58.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide (CID 144631401) is ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is CC.Cc1cc(C(F)(F)F)ccc1-c1cncc2ccc(C(N)=O)nc12.Cc1ccccc1-c1cncc2ccc(C(=O)NC(C)C(C)(C)O)nc12.
What is the InChIKey of ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is RQEWARUDCNNGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C17H12F3N3O.C2H6/c1-13-7-5-6-8-16(13)17-12-22-11-15-9-10-18(24-19(15)17)20(25)23-14(2)21(3,4)26;1-9-6-11(17(18,19)20)3-4-12(9)13-8-22-7-10-2-5-14(16(21)24)23-15(10)13;1-2/h5-12,14,26H,1-4H3,(H,23,25);2-8H,1H3,(H2,21,24);1-2H3.
What are the key properties of ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide?
ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 710.80 g/mol, XLogP of 8.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxy-3-methylbutan-2-yl)-8-(2-methylphenyl)-1,6-naphthyridine-2-carboxamide;8-[2-methyl-4-(trifluoromethyl)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 144631401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).