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

C26H19F6N3O2 — CID 10369373

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)c2cccnc2c(=O)n1C
InChIInChI=1S/C26H19F6N3O2/c1-34(14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32)24(37)22-20(16-7-4-3-5-8-16)19-9-6-10-33-21(19)23(36)35(22)2/h3-13H,14H2,1-2H3
InChIKeyNGUROMNMBRTEKF-UHFFFAOYSA-N
MW519.45 g/mol
LogP5.91
Rot. Bonds4

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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide (PubChem CID 10369373) has the molecular formula C26H19F6N3O2 and a molecular weight of 519.45 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide
PubChem CID10369373
Molecular FormulaC26H19F6N3O2
Molecular Weight519.45 g/mol
Exact Mass519.14
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)c2cccnc2c(=O)n1C
InChIInChI=1S/C26H19F6N3O2/c1-34(14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32)24(37)22-20(16-7-4-3-5-8-16)19-9-6-10-33-21(19)23(36)35(22)2/h3-13H,14H2,1-2H3
InChIKeyNGUROMNMBRTEKF-UHFFFAOYSA-N
XLogP5.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.45
LogP ≤ 55.91
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]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide (CID 10369373) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)c2cccnc2c(=O)n1C.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
The InChIKey is NGUROMNMBRTEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6N3O2/c1-34(14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32)24(37)22-20(16-7-4-3-5-8-16)19-9-6-10-33-21(19)23(36)35(22)2/h3-13H,14H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide has a molecular weight of 519.45 g/mol, XLogP of 5.91, 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]-N,7-dimethyl-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 10369373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).