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

C22H17F4N3O — CID 25207770

IUPAC(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2ncccc2[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F4N3O/c23-16-7-9-17(10-8-16)28-21(30)29-13-11-19-18(2-1-12-27-19)20(29)14-3-5-15(6-4-14)22(24,25)26/h1-10,12,20H,11,13H2,(H,28,30)/t20-/m1/s1
InChIKeyRORQRTUPQNMYOQ-HXUWFJFHSA-N
MW415.39 g/mol
LogP5.42
Rot. Bonds2

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

(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 25207770) has the molecular formula C22H17F4N3O and a molecular weight of 415.39 g/mol. Its IUPAC name is (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID25207770
Molecular FormulaC22H17F4N3O
Molecular Weight415.39 g/mol
Exact Mass415.13
IUPAC Name(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCc2ncccc2[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F4N3O/c23-16-7-9-17(10-8-16)28-21(30)29-13-11-19-18(2-1-12-27-19)20(29)14-3-5-15(6-4-14)22(24,25)26/h1-10,12,20H,11,13H2,(H,28,30)/t20-/m1/s1
InChIKeyRORQRTUPQNMYOQ-HXUWFJFHSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 25207770) is (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is O=C(Nc1ccc(F)cc1)N1CCc2ncccc2[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is RORQRTUPQNMYOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H17F4N3O/c23-16-7-9-17(10-8-16)28-21(30)29-13-11-19-18(2-1-12-27-19)20(29)14-3-5-15(6-4-14)22(24,25)26/h1-10,12,20H,11,13H2,(H,28,30)/t20-/m1/s1.
What are the key properties of (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
(5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 415.39 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 25207770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).