N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

C24H22F3N3O — CID 68895135

IUPACN-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESC[C@@H](NC(=O)N1CCc2cccnc2C1c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H22F3N3O/c1-16(17-6-3-2-4-7-17)29-23(31)30-15-13-18-8-5-14-28-21(18)22(30)19-9-11-20(12-10-19)24(25,26)27/h2-12,14,16,22H,13,15H2,1H3,(H,29,31)/t16-,22?/m1/s1
InChIKeyBOCHICYUZMAFBR-XESZBRCGSA-N
MW425.45 g/mol
LogP5.52
Rot. Bonds3

About N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (PubChem CID 68895135) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
PubChem CID68895135
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESC[C@@H](NC(=O)N1CCc2cccnc2C1c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H22F3N3O/c1-16(17-6-3-2-4-7-17)29-23(31)30-15-13-18-8-5-14-28-21(18)22(30)19-9-11-20(12-10-19)24(25,26)27/h2-12,14,16,22H,13,15H2,1H3,(H,29,31)/t16-,22?/m1/s1
InChIKeyBOCHICYUZMAFBR-XESZBRCGSA-N
XLogP5.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (CID 68895135) is N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is C[C@@H](NC(=O)N1CCc2cccnc2C1c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The InChIKey is BOCHICYUZMAFBR-XESZBRCGSA-N. The full InChI is InChI=1S/C24H22F3N3O/c1-16(17-6-3-2-4-7-17)29-23(31)30-15-13-18-8-5-14-28-21(18)22(30)19-9-11-20(12-10-19)24(25,26)27/h2-12,14,16,22H,13,15H2,1H3,(H,29,31)/t16-,22?/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is sourced from PubChem (CID 68895135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).