N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide

C26H22F7N3O2 — CID 10459957

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2c(c(=O)n1C)CCCN2
InChIInChI=1S/C26H22F7N3O2/c1-35(13-14-10-16(25(28,29)30)12-17(11-14)26(31,32)33)24(38)22-20(15-5-7-18(27)8-6-15)21-19(4-3-9-34-21)23(37)36(22)2/h5-8,10-12,34H,3-4,9,13H2,1-2H3
InChIKeyUSWPBWNYRGTTKA-UHFFFAOYSA-N
MW541.47 g/mol
LogP5.86
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide (PubChem CID 10459957) has the molecular formula C26H22F7N3O2 and a molecular weight of 541.47 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide
PubChem CID10459957
Molecular FormulaC26H22F7N3O2
Molecular Weight541.47 g/mol
Exact Mass541.16
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2c(c(=O)n1C)CCCN2
InChIInChI=1S/C26H22F7N3O2/c1-35(13-14-10-16(25(28,29)30)12-17(11-14)26(31,32)33)24(38)22-20(15-5-7-18(27)8-6-15)21-19(4-3-9-34-21)23(37)36(22)2/h5-8,10-12,34H,3-4,9,13H2,1-2H3
InChIKeyUSWPBWNYRGTTKA-UHFFFAOYSA-N
XLogP5.86
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide (CID 10459957) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)c2c(c(=O)n1C)CCCN2.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide?
The InChIKey is USWPBWNYRGTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F7N3O2/c1-35(13-14-10-16(25(28,29)30)12-17(11-14)26(31,32)33)24(38)22-20(15-5-7-18(27)8-6-15)21-19(4-3-9-34-21)23(37)36(22)2/h5-8,10-12,34H,3-4,9,13H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide has a molecular weight of 541.47 g/mol, XLogP of 5.86, 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]-8-(4-fluorophenyl)-N,6-dimethyl-5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10459957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).