N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide

C26H18F7N3O2 — CID 10792479

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2cnccc2c(=O)n1C
InChIInChI=1S/C26H18F7N3O2/c1-35(13-14-9-16(25(28,29)30)11-17(10-14)26(31,32)33)24(38)22-21(15-3-5-18(27)6-4-15)20-12-34-8-7-19(20)23(37)36(22)2/h3-12H,13H2,1-2H3
InChIKeyXBOFTNWBNVBHDC-UHFFFAOYSA-N
MW537.44 g/mol
LogP6.05
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide (PubChem CID 10792479) has the molecular formula C26H18F7N3O2 and a molecular weight of 537.44 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide
PubChem CID10792479
Molecular FormulaC26H18F7N3O2
Molecular Weight537.44 g/mol
Exact Mass537.13
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2cnccc2c(=O)n1C
InChIInChI=1S/C26H18F7N3O2/c1-35(13-14-9-16(25(28,29)30)11-17(10-14)26(31,32)33)24(38)22-21(15-3-5-18(27)6-4-15)20-12-34-8-7-19(20)23(37)36(22)2/h3-12H,13H2,1-2H3
InChIKeyXBOFTNWBNVBHDC-UHFFFAOYSA-N
XLogP6.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.44
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide (CID 10792479) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2cnccc2c(=O)n1C.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide?
The InChIKey is XBOFTNWBNVBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F7N3O2/c1-35(13-14-9-16(25(28,29)30)11-17(10-14)26(31,32)33)24(38)22-21(15-3-5-18(27)6-4-15)20-12-34-8-7-19(20)23(37)36(22)2/h3-12H,13H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide has a molecular weight of 537.44 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2-dimethyl-1-oxo-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 10792479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).