N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide

C25H16F7N3O2 — CID 10414428

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCn1c(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C25H16F7N3O2/c1-35-21(19(14-4-6-17(26)7-5-14)18-3-2-8-33-20(18)23(35)37)22(36)34-12-13-9-15(24(27,28)29)11-16(10-13)25(30,31)32/h2-11H,12H2,1H3,(H,34,36)
InChIKeyVHEFUYSBNMMOGV-UHFFFAOYSA-N
MW523.41 g/mol
LogP5.71
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide (PubChem CID 10414428) has the molecular formula C25H16F7N3O2 and a molecular weight of 523.41 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide
PubChem CID10414428
Molecular FormulaC25H16F7N3O2
Molecular Weight523.41 g/mol
Exact Mass523.11
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCn1c(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C25H16F7N3O2/c1-35-21(19(14-4-6-17(26)7-5-14)18-3-2-8-33-20(18)23(35)37)22(36)34-12-13-9-15(24(27,28)29)11-16(10-13)25(30,31)32/h2-11H,12H2,1H3,(H,34,36)
InChIKeyVHEFUYSBNMMOGV-UHFFFAOYSA-N
XLogP5.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide (CID 10414428) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide is Cn1c(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(F)cc2)c2cccnc2c1=O.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The InChIKey is VHEFUYSBNMMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F7N3O2/c1-35-21(19(14-4-6-17(26)7-5-14)18-3-2-8-33-20(18)23(35)37)22(36)34-12-13-9-15(24(27,28)29)11-16(10-13)25(30,31)32/h2-11H,12H2,1H3,(H,34,36).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide has a molecular weight of 523.41 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 10414428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).