1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C28H30F2N4O4S — CID 155051328

IUPAC1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(c1ccc2c(=O)c(C(=O)NC3(C)CC4CC5CC(C3)C5C4)cn(-c3ccc(F)cc3F)c2n1)S(C)(=O)=O
InChIInChI=1S/C28H30F2N4O4S/c1-28(12-15-8-16-10-17(13-28)20(16)9-15)32-27(36)21-14-34(23-6-4-18(29)11-22(23)30)26-19(25(21)35)5-7-24(31-26)33(2)39(3,37)38/h4-7,11,14-17,20H,8-10,12-13H2,1-3H3,(H,32,36)
InChIKeyKQYCPWKTEIRIKL-UHFFFAOYSA-N
MW556.64 g/mol
LogP4.00
Rot. Bonds5

About 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155051328) has the molecular formula C28H30F2N4O4S and a molecular weight of 556.64 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID155051328
Molecular FormulaC28H30F2N4O4S
Molecular Weight556.64 g/mol
Exact Mass556.20
IUPAC Name1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCN(c1ccc2c(=O)c(C(=O)NC3(C)CC4CC5CC(C3)C5C4)cn(-c3ccc(F)cc3F)c2n1)S(C)(=O)=O
InChIInChI=1S/C28H30F2N4O4S/c1-28(12-15-8-16-10-17(13-28)20(16)9-15)32-27(36)21-14-34(23-6-4-18(29)11-22(23)30)26-19(25(21)35)5-7-24(31-26)33(2)39(3,37)38/h4-7,11,14-17,20H,8-10,12-13H2,1-3H3,(H,32,36)
InChIKeyKQYCPWKTEIRIKL-UHFFFAOYSA-N
XLogP4.00
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155051328) is 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CN(c1ccc2c(=O)c(C(=O)NC3(C)CC4CC5CC(C3)C5C4)cn(-c3ccc(F)cc3F)c2n1)S(C)(=O)=O.
What is the InChIKey of 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KQYCPWKTEIRIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O4S/c1-28(12-15-8-16-10-17(13-28)20(16)9-15)32-27(36)21-14-34(23-6-4-18(29)11-22(23)30)26-19(25(21)35)5-7-24(31-26)33(2)39(3,37)38/h4-7,11,14-17,20H,8-10,12-13H2,1-3H3,(H,32,36).
What are the key properties of 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 556.64 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-7-[methyl(methylsulfonyl)amino]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155051328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).