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

C23H19F4N3O — CID 76629470

IUPACN-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESCC1Cc2cccnc2C(c2ccc(C(F)(F)F)cc2)N1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19F4N3O/c1-14-13-16-3-2-12-28-20(16)21(15-4-6-17(7-5-15)23(25,26)27)30(14)22(31)29-19-10-8-18(24)9-11-19/h2-12,14,21H,13H2,1H3,(H,29,31)
InChIKeySOPGGZXAUATZIL-UHFFFAOYSA-N
MW429.42 g/mol
LogP5.81
Rot. Bonds2

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

N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (PubChem CID 76629470) has the molecular formula C23H19F4N3O and a molecular weight of 429.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
PubChem CID76629470
Molecular FormulaC23H19F4N3O
Molecular Weight429.42 g/mol
Exact Mass429.15
IUPAC NameN-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESCC1Cc2cccnc2C(c2ccc(C(F)(F)F)cc2)N1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19F4N3O/c1-14-13-16-3-2-12-28-20(16)21(15-4-6-17(7-5-15)23(25,26)27)30(14)22(31)29-19-10-8-18(24)9-11-19/h2-12,14,21H,13H2,1H3,(H,29,31)
InChIKeySOPGGZXAUATZIL-UHFFFAOYSA-N
XLogP5.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.42
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (CID 76629470) is N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is CC1Cc2cccnc2C(c2ccc(C(F)(F)F)cc2)N1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The InChIKey is SOPGGZXAUATZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O/c1-14-13-16-3-2-12-28-20(16)21(15-4-6-17(7-5-15)23(25,26)27)30(14)22(31)29-19-10-8-18(24)9-11-19/h2-12,14,21H,13H2,1H3,(H,29,31).
What are the key properties of N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is sourced from PubChem (CID 76629470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).